5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide

C12H7BrClFN2O — CID 7961320

IUPAC5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1cncc(Br)c1
InChIInChI=1S/C12H7BrClFN2O/c13-8-3-7(5-16-6-8)12(18)17-11-2-1-9(14)4-10(11)15/h1-6H,(H,17,18)
InChIKeySPCQQYNICRWAAQ-UHFFFAOYSA-N
MW329.56 g/mol
LogP3.89
Rot. Bonds2

About 5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide

5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide (PubChem CID 7961320) has the molecular formula C12H7BrClFN2O and a molecular weight of 329.56 g/mol. Its IUPAC name is 5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
PubChem CID7961320
Molecular FormulaC12H7BrClFN2O
Molecular Weight329.56 g/mol
Exact Mass327.94
IUPAC Name5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1cncc(Br)c1
InChIInChI=1S/C12H7BrClFN2O/c13-8-3-7(5-16-6-8)12(18)17-11-2-1-9(14)4-10(11)15/h1-6H,(H,17,18)
InChIKeySPCQQYNICRWAAQ-UHFFFAOYSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-bromo-N-(6-chloroquinolin-4-yl)pyridine-3-carboxamide
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5-bromo-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
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5-bromo-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 82889340
3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid
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3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide
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4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide (CID 7961320) is 5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1F)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is SPCQQYNICRWAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN2O/c13-8-3-7(5-16-6-8)12(18)17-11-2-1-9(14)4-10(11)15/h1-6H,(H,17,18).
What are the key properties of 5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide?
5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 329.56 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 7961320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).