N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide

C14H12BrClN2O — CID 113378489

IUPACN-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C)c2Br)cc(Cl)n1
InChIInChI=1S/C14H12BrClN2O/c1-8-4-3-5-11(13(8)15)18-14(19)10-6-9(2)17-12(16)7-10/h3-7H,1-2H3,(H,18,19)
InChIKeyBLKZNOWLNXRVEF-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.37
Rot. Bonds2

About N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide

N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide (PubChem CID 113378489) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide
PubChem CID113378489
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC NameN-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C)c2Br)cc(Cl)n1
InChIInChI=1S/C14H12BrClN2O/c1-8-4-3-5-11(13(8)15)18-14(19)10-6-9(2)17-12(16)7-10/h3-7H,1-2H3,(H,18,19)
InChIKeyBLKZNOWLNXRVEF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide
CID 106753102
4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide
CID 82833101
2-chloro-N-(2-ethylphenyl)-6-methylpyridine-4-carboxamide
CID 113378289
2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62166263
N-(2-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide
CID 114820906
2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide
CID 104952423
3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264990
2-chloro-N-(2,3-dimethylphenyl)-6-hydrazinylpyridine-4-carboxamide
CID 62241615
N-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide
CID 106509671
N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670586
2-amino-6-methyl-N-(2-methylphenyl)pyridine-4-carboxamide
CID 113378981
2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide
CID 10192785

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide (CID 113378489) is N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(C)c2Br)cc(Cl)n1.
What is the InChIKey of N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide?
The InChIKey is BLKZNOWLNXRVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-4-3-5-11(13(8)15)18-14(19)10-6-9(2)17-12(16)7-10/h3-7H,1-2H3,(H,18,19).
What are the key properties of N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide?
N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-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-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 113378489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).