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

C14H9BrFN3O — CID 103889775

IUPAC6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)c1cccc(Br)n1
InChIInChI=1S/C14H9BrFN3O/c1-8-10(16)5-9(7-17)6-12(8)19-14(20)11-3-2-4-13(15)18-11/h2-6H,1H3,(H,19,20)
InChIKeyQKYBHAHHRAOWNN-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.42
Rot. Bonds2

About 6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide

6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide (PubChem CID 103889775) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is 6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide
PubChem CID103889775
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC Name6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)c1cccc(Br)n1
InChIInChI=1S/C14H9BrFN3O/c1-8-10(16)5-9(7-17)6-12(8)19-14(20)11-3-2-4-13(15)18-11/h2-6H,1H3,(H,19,20)
InChIKeyQKYBHAHHRAOWNN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 103874101
4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 60793561
3-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)-4-methylbenzamide
CID 79489943
2-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)-5-methylbenzamide
CID 81008344
6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 103889509
5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 60795117
6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 103874055
6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 103874071
N-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61259196
6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 103889568
6-bromo-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide
CID 103874163
6-bromo-N-[5-cyano-3-(trifluoromethoxy)-2-pyridinyl]pyridine-2-carboxamide
CID 170720062

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide (CID 103889775) is 6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide is Cc1c(F)cc(C#N)cc1NC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is QKYBHAHHRAOWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c1-8-10(16)5-9(7-17)6-12(8)19-14(20)11-3-2-4-13(15)18-11/h2-6H,1H3,(H,19,20).
What are the key properties of 6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide?
6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-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 6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 103889775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).