5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide

C14H9BrFN3O — CID 60795117

IUPAC5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C14H9BrFN3O/c1-8-12(16)2-9(5-17)3-13(8)19-14(20)10-4-11(15)7-18-6-10/h2-4,6-7H,1H3,(H,19,20)
InChIKeyKHPHHALHKQDISU-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.42
Rot. Bonds2

About 5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide

5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide (PubChem CID 60795117) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is 5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide
PubChem CID60795117
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC Name5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C14H9BrFN3O/c1-8-12(16)2-9(5-17)3-13(8)19-14(20)10-4-11(15)7-18-6-10/h2-4,6-7H,1H3,(H,19,20)
InChIKeyKHPHHALHKQDISU-UHFFFAOYSA-N
XLogP3.42
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)-4-methylbenzamide
CID 79489943
5-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 26881964
5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide
CID 104849115
6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 103889775
2-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)-5-methylbenzamide
CID 81008344
5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 7961320
5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate
CID 61061573
3-bromo-N-(4-cyano-2-fluorophenyl)-5-methylbenzamide
CID 104851539
N-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61259196
5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pentanamide
CID 114014772
4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 60793561

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide (CID 60795117) is 5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide is Cc1c(F)cc(C#N)cc1NC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is KHPHHALHKQDISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c1-8-12(16)2-9(5-17)3-13(8)19-14(20)10-4-11(15)7-18-6-10/h2-4,6-7H,1H3,(H,19,20).
What are the key properties of 5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide?
5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 334.15 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 60795117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).