UCSF

ZINC00330869

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 9 Yes

Popular Name: 5-Bromo-2-cyanopyridine 5-Bromo-2-cyanopyridine

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CAS Numbers: 97483-77-7 , [97483-77-7]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.50 3.63 -5.54 0 2 0 37 183.008 0 ↓
Lo Low (pH 4.5-6) 1.50 3.9 -36.38 1 2 1 38 184.016 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 100° Oakwood Chemical
BP 100°/3mm Matrix Scientific
Melting_Point 124-127? Alfa-Aesar
Melting_Point 124-127° Alfa-Aesar
MP 128-132° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT, TOXIC Matrix Scientific
Warnings Toxic/Irritant Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.