2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide

C13H10BrClN2O — CID 113255059

IUPAC2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2Br)c(Cl)c1
InChIInChI=1S/C13H10BrClN2O/c1-8-4-5-11(10(15)7-8)17-13(18)9-3-2-6-16-12(9)14/h2-7H,1H3,(H,17,18)
InChIKeyKKHHGLPNJSDTAI-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.06
Rot. Bonds2

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

2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide (PubChem CID 113255059) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide
PubChem CID113255059
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC Name2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2Br)c(Cl)c1
InChIInChI=1S/C13H10BrClN2O/c1-8-4-5-11(10(15)7-8)17-13(18)9-3-2-6-16-12(9)14/h2-7H,1H3,(H,17,18)
InChIKeyKKHHGLPNJSDTAI-UHFFFAOYSA-N
XLogP4.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.06
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

2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 113255485
2-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 103752054
2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 103754076
2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide
CID 103754685
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
2-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 103751818
2,3-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 7926718
N-(2-chloro-4-methylphenyl)-2-iodobenzamide
CID 8886012
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide
CID 114036150
2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide
CID 103758995
5-bromo-N-(2-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62165434

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide (CID 113255059) is 2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cccnc2Br)c(Cl)c1.
What is the InChIKey of 2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is KKHHGLPNJSDTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c1-8-4-5-11(10(15)7-8)17-13(18)9-3-2-6-16-12(9)14/h2-7H,1H3,(H,17,18).
What are the key properties of 2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide?
2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 325.59 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 113255059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).