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

C13H10ClN3O3 — CID 60722571

IUPAC2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H10ClN3O3/c1-8-7-9(4-5-11(8)17(19)20)16-13(18)10-3-2-6-15-12(10)14/h2-7H,1H3,(H,16,18)
InChIKeyMSNCWYNAFXQQQQ-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.20
Rot. Bonds3

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

2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide (PubChem CID 60722571) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide
PubChem CID60722571
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H10ClN3O3/c1-8-7-9(4-5-11(8)17(19)20)16-13(18)10-3-2-6-15-12(10)14/h2-7H,1H3,(H,16,18)
InChIKeyMSNCWYNAFXQQQQ-UHFFFAOYSA-N
XLogP3.20
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 17102197
3-chloro-N-(3-methyl-4-nitrophenyl)pyridine-4-carboxamide
CID 66484722
2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 61072257
2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 62660947
N-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide
CID 121379869
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide
CID 115376771
2-[(3-methyl-4-nitrophenyl)carbamoyl]-6-nitrobenzoic acid
CID 4609006
4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 62185643
2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide
CID 103931944
2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 107334861
2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103738978
2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide
CID 62512688

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide (CID 60722571) is 2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide is Cc1cc(NC(=O)c2cccnc2Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is MSNCWYNAFXQQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-8-7-9(4-5-11(8)17(19)20)16-13(18)10-3-2-6-15-12(10)14/h2-7H,1H3,(H,16,18).
What are the key properties of 2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide?
2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide has a molecular weight of 291.69 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 60722571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).