5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide

C13H10BrClN2O — CID 66255147

IUPAC5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H10BrClN2O/c1-8-3-2-4-10(15)12(8)17-13(18)11-6-5-9(14)7-16-11/h2-7H,1H3,(H,17,18)
InChIKeyJTVGRVYTBWBEHE-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.06
Rot. Bonds2

About 5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide

5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide (PubChem CID 66255147) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide
PubChem CID66255147
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC Name5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H10BrClN2O/c1-8-3-2-4-10(15)12(8)17-13(18)11-6-5-9(14)7-16-11/h2-7H,1H3,(H,17,18)
InChIKeyJTVGRVYTBWBEHE-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

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Related Compounds

5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide
CID 107376052
N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66255718
N-(3-amino-2,6-dimethylphenyl)-5-bromopyridine-2-carboxamide
CID 62958756
5-bromo-N-(2-chlorophenyl)pyridine-2-carboxamide
CID 62953356
N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide
CID 141229709
2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid
CID 107048547
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
5-bromo-N-(2-chloro-6-methylphenyl)pyridin-2-amine
CID 66255644
5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 112520643
6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 66254491
N-(2-amino-4-bromo-6-methylphenyl)-5-bromopyridine-2-carboxamide
CID 55152866
4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide
CID 81002737

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide (CID 66255147) is 5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide is Cc1cccc(Cl)c1NC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide?
The InChIKey is JTVGRVYTBWBEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c1-8-3-2-4-10(15)12(8)17-13(18)11-6-5-9(14)7-16-11/h2-7H,1H3,(H,17,18).
What are the key properties of 5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide?
5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-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 5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 66255147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).