6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide

C13H10BrClN2O — CID 66462281

IUPAC6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Br)nc2)cc1Cl
InChIInChI=1S/C13H10BrClN2O/c1-8-2-4-10(6-11(8)15)17-13(18)9-3-5-12(14)16-7-9/h2-7H,1H3,(H,17,18)
InChIKeyHMUVXMPXNIGWNE-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.06
Rot. Bonds2

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

6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide (PubChem CID 66462281) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is 6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
PubChem CID66462281
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC Name6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Br)nc2)cc1Cl
InChIInChI=1S/C13H10BrClN2O/c1-8-2-4-10(6-11(8)15)17-13(18)9-3-5-12(14)16-7-9/h2-7H,1H3,(H,17,18)
InChIKeyHMUVXMPXNIGWNE-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

3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
N-(3-chloro-4-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62184769
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 66462669
6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide
CID 66462872
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3-chloro-4-methylphenyl)pyrido[2,3-b]pyrazine-7-carboxamide
CID 110859289
N-(3-chloro-4-methylphenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266930
6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 66462941
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
4-bromo-N-(3-chloro-4-methylphenyl)-3-hydroxybenzamide
CID 103830447

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide (CID 66462281) is 6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(Br)nc2)cc1Cl.
What is the InChIKey of 6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is HMUVXMPXNIGWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c1-8-2-4-10(6-11(8)15)17-13(18)9-3-5-12(14)16-7-9/h2-7H,1H3,(H,17,18).
What are the key properties of 6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide?
6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-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-4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 66462281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).