UCSF

ZINC00065167

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 4-bromopyridine-2-carbonitrile 4-bromopyridine-2-carbonitrile

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CAS Numbers: 62150-45-2 , [62150-45-2]

Download: MOL2 SDF SMILES Flexibase

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) 1.67 3.65 -5.72 0 2 0 37 183.008 0 ↓
Lo Low (pH 4.5-6) 1.67 3.91 -39.23 1 2 1 38 184.016 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 87-91? Alfa-Aesar
MP 87-91° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Toxic Matrix Scientific

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

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