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

C13H10BrClN2O — CID 103874055

IUPAC6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccc(Br)n1
InChIInChI=1S/C13H10BrClN2O/c1-8-9(15)4-2-5-10(8)17-13(18)11-6-3-7-12(14)16-11/h2-7H,1H3,(H,17,18)
InChIKeyCTWCSUNZPOHOAH-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.06
Rot. Bonds2

About 6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide

6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide (PubChem CID 103874055) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is 6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
PubChem CID103874055
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC Name6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccc(Br)n1
InChIInChI=1S/C13H10BrClN2O/c1-8-9(15)4-2-5-10(8)17-13(18)11-6-3-7-12(14)16-11/h2-7H,1H3,(H,17,18)
InChIKeyCTWCSUNZPOHOAH-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

N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
6-N-(3-chloro-2-methylphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100060
2-N-(3-chloro-2-methylphenyl)-6-N,6-N-diethylpyridine-2,6-dicarboxamide
CID 109098998
6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100872
6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453081
6-bromo-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 103874036
6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 54927236
N-(3-bromo-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 113230237
6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 103874071
6-N-(3-chloro-2-methylphenyl)-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097382
6-N-(3-chloro-2-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,6-dicarboxamide
CID 109098456
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide (CID 103874055) is 6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is CTWCSUNZPOHOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c1-8-9(15)4-2-5-10(8)17-13(18)11-6-3-7-12(14)16-11/h2-7H,1H3,(H,17,18).
What are the key properties of 6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide?
6-bromo-N-(3-chloro-2-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 6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 103874055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).