2-chloro-N-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide

C13H10ClN3O4 — CID 64856454

IUPAC2-chloro-N-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C13H10ClN3O4/c1-21-10-5-3-2-4-9(10)16-13(18)8-6-7-15-12(14)11(8)17(19)20/h2-7H,1H3,(H,16,18)
InChIKeyORSOLCWLHRJMLH-UHFFFAOYSA-N
MW307.69 g/mol
LogP2.90
Rot. Bonds4

About 2-chloro-N-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide

2-chloro-N-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide (PubChem CID 64856454) has the molecular formula C13H10ClN3O4 and a molecular weight of 307.69 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide
PubChem CID64856454
Molecular FormulaC13H10ClN3O4
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Name2-chloro-N-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C13H10ClN3O4/c1-21-10-5-3-2-4-9(10)16-13(18)8-6-7-15-12(14)11(8)17(19)20/h2-7H,1H3,(H,16,18)
InChIKeyORSOLCWLHRJMLH-UHFFFAOYSA-N
XLogP2.90
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide
CID 64856467
4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide
CID 789181
2-chloro-N-(4-chloro-2-fluorophenyl)-3-nitropyridine-4-carboxamide
CID 64856850
N-(2-bromo-4-fluorophenyl)-2-chloro-3-nitropyridine-4-carboxamide
CID 64857439
2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 4525624
2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide
CID 115683157
2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide
CID 83014753
2-chloro-N-(4-methylsulfanylphenyl)-3-nitropyridine-4-carboxamide
CID 64856476
5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 62001368
2-chloro-3-nitro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 64868063
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 24650659
2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide
CID 1371919

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide (CID 64856454) is 2-chloro-N-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide is COc1ccccc1NC(=O)c1ccnc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide?
The InChIKey is ORSOLCWLHRJMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4/c1-21-10-5-3-2-4-9(10)16-13(18)8-6-7-15-12(14)11(8)17(19)20/h2-7H,1H3,(H,16,18).
What are the key properties of 2-chloro-N-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide?
2-chloro-N-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide has a molecular weight of 307.69 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide is sourced from PubChem (CID 64856454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).