UCSF

ZINC00153667

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Popular Name: Methyl 6-chloronicotinate Methyl 6-chloronicotinate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 73781-91-6 , [73781-91-6]

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) 1.55 3.81 -5.27 0 3 0 39 171.583 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 83-88? Alfa-Aesar
Melting_Point 83-88° Alfa-Aesar
MP 83-90° Matrix Scientific
MP 87 TCI
melting_point 89 - 92 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Stored under Argon Matrix Scientific

Activity (Go SEA)

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

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