5-bromo-2-chloro-N-phenylpyridine-3-carboxamide

C12H8BrClN2O — CID 59781136

IUPAC5-bromo-2-chloro-N-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H8BrClN2O/c13-8-6-10(11(14)15-7-8)12(17)16-9-4-2-1-3-5-9/h1-7H,(H,16,17)
InChIKeyWVTPSRWJZZAFJA-UHFFFAOYSA-N
MW311.57 g/mol
LogP3.75
Rot. Bonds2

About 5-bromo-2-chloro-N-phenylpyridine-3-carboxamide

5-bromo-2-chloro-N-phenylpyridine-3-carboxamide (PubChem CID 59781136) has the molecular formula C12H8BrClN2O and a molecular weight of 311.57 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-phenylpyridine-3-carboxamide
PubChem CID59781136
Molecular FormulaC12H8BrClN2O
Molecular Weight311.57 g/mol
Exact Mass309.95
IUPAC Name5-bromo-2-chloro-N-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H8BrClN2O/c13-8-6-10(11(14)15-7-8)12(17)16-9-4-2-1-3-5-9/h1-7H,(H,16,17)
InChIKeyWVTPSRWJZZAFJA-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.57
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
CID 62000422
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N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide
CID 115635717
5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide
CID 107300867
5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
CID 62000829
5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 52780386
5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide
CID 114839248
5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 82889174
N-(5-bromo-2-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 102979359
5-bromo-N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-chloropyridine-3-carboxamide
CID 56506893
5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 65491463

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-phenylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-phenylpyridine-3-carboxamide (CID 59781136) is 5-bromo-2-chloro-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-phenylpyridine-3-carboxamide is O=C(Nc1ccccc1)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-phenylpyridine-3-carboxamide?
The InChIKey is WVTPSRWJZZAFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O/c13-8-6-10(11(14)15-7-8)12(17)16-9-4-2-1-3-5-9/h1-7H,(H,16,17).
What are the key properties of 5-bromo-2-chloro-N-phenylpyridine-3-carboxamide?
5-bromo-2-chloro-N-phenylpyridine-3-carboxamide has a molecular weight of 311.57 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 59781136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).