N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide

C13H10BrClN2O — CID 104723857

IUPACN-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2ccncc2)cc1Cl
InChIInChI=1S/C13H10BrClN2O/c1-8-6-10(14)12(7-11(8)15)17-13(18)9-2-4-16-5-3-9/h2-7H,1H3,(H,17,18)
InChIKeyNXAJLAAVEXGTKZ-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.06
Rot. Bonds2

About N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide

N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide (PubChem CID 104723857) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
PubChem CID104723857
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2ccncc2)cc1Cl
InChIInChI=1S/C13H10BrClN2O/c1-8-6-10(14)12(7-11(8)15)17-13(18)9-2-4-16-5-3-9/h2-7H,1H3,(H,17,18)
InChIKeyNXAJLAAVEXGTKZ-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

N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide
CID 104723637
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide
CID 104723980
N-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 104724206
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide
CID 104724099
N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
CID 81272185
N-(2-bromo-5-chloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104725197
N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
CID 4098506
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 104723154
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 104724066
4-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 113445906

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide (CID 104723857) is N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide is Cc1cc(Br)c(NC(=O)c2ccncc2)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide?
The InChIKey is NXAJLAAVEXGTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c1-8-6-10(14)12(7-11(8)15)17-13(18)9-2-4-16-5-3-9/h2-7H,1H3,(H,17,18).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide?
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-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 N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 104723857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).