3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide

C13H9BrClN3O3 — CID 107519314

IUPAC3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ncccc1Br
InChIInChI=1S/C13H9BrClN3O3/c1-7-5-11(18(20)21)9(15)6-10(7)17-13(19)12-8(14)3-2-4-16-12/h2-6H,1H3,(H,17,19)
InChIKeyPIJGJYUHXMNLIZ-UHFFFAOYSA-N
MW370.59 g/mol
LogP3.97
Rot. Bonds3

About 3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide

3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide (PubChem CID 107519314) has the molecular formula C13H9BrClN3O3 and a molecular weight of 370.59 g/mol. Its IUPAC name is 3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide
PubChem CID107519314
Molecular FormulaC13H9BrClN3O3
Molecular Weight370.59 g/mol
Exact Mass368.95
IUPAC Name3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ncccc1Br
InChIInChI=1S/C13H9BrClN3O3/c1-7-5-11(18(20)21)9(15)6-10(7)17-13(19)12-8(14)3-2-4-16-12/h2-6H,1H3,(H,17,19)
InChIKeyPIJGJYUHXMNLIZ-UHFFFAOYSA-N
XLogP3.97
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide
CID 107519316
2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 17102197
3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide
CID 107518199
N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516937
3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide
CID 107519192
5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 2909842
N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide
CID 104668259
3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide
CID 17102161
N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide
CID 2910019
3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide
CID 107519279
N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide
CID 3683466
3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 107518241

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide (CID 107519314) is 3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide is Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is PIJGJYUHXMNLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O3/c1-7-5-11(18(20)21)9(15)6-10(7)17-13(19)12-8(14)3-2-4-16-12/h2-6H,1H3,(H,17,19).
What are the key properties of 3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide?
3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide has a molecular weight of 370.59 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107519314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).