N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide

C14H12BrClN2O — CID 81024100

IUPACN-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2Br)c(C)n1
InChIInChI=1S/C14H12BrClN2O/c1-8-3-5-11(9(2)17-8)14(19)18-13-6-4-10(16)7-12(13)15/h3-7H,1-2H3,(H,18,19)
InChIKeyNFLMXHIRXPSLKO-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.37
Rot. Bonds2

About N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide

N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 81024100) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID81024100
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC NameN-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2Br)c(C)n1
InChIInChI=1S/C14H12BrClN2O/c1-8-3-5-11(9(2)17-8)14(19)18-13-6-4-10(16)7-12(13)15/h3-7H,1-2H3,(H,18,19)
InChIKeyNFLMXHIRXPSLKO-UHFFFAOYSA-N
XLogP4.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830415
N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 81028266
N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 81027870
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 102979497
N-(4-amino-2-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62831114
N-(2-bromo-4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81024583
N-(5-bromo-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47308279
5-amino-N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 102705790
N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62828848
N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide
CID 81024059
N-(2-bromo-4-chlorophenyl)-2,4-difluoro-5-methylbenzamide
CID 115703975
2-amino-N-(2-bromo-4-chlorophenyl)-5-methylbenzamide
CID 81262086

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide (CID 81024100) is N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(Cl)cc2Br)c(C)n1.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is NFLMXHIRXPSLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-3-5-11(9(2)17-8)14(19)18-13-6-4-10(16)7-12(13)15/h3-7H,1-2H3,(H,18,19).
What are the key properties of N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide?
N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 339.62 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 81024100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).