2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide

C13H10ClN3O4 — CID 4525624

IUPAC2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C13H10ClN3O4/c1-21-11-5-4-8(17(19)20)7-10(11)16-13(18)9-3-2-6-15-12(9)14/h2-7H,1H3,(H,16,18)
InChIKeySKWNQISQQLBRDV-UHFFFAOYSA-N
MW307.69 g/mol
LogP2.90
Rot. Bonds4

About 2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide

2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide (PubChem CID 4525624) has the molecular formula C13H10ClN3O4 and a molecular weight of 307.69 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
PubChem CID4525624
Molecular FormulaC13H10ClN3O4
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Name2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C13H10ClN3O4/c1-21-11-5-4-8(17(19)20)7-10(11)16-13(18)9-3-2-6-15-12(9)14/h2-7H,1H3,(H,16,18)
InChIKeySKWNQISQQLBRDV-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

N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108520495
2-chloro-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 17102140
2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide
CID 106685355
2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 55374643
N-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide
CID 103863259
6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 2108909
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
CID 61042493
N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide
CID 60619551
6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide
CID 107260793
2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide
CID 7578693
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide (CID 4525624) is 2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is SKWNQISQQLBRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4/c1-21-11-5-4-8(17(19)20)7-10(11)16-13(18)9-3-2-6-15-12(9)14/h2-7H,1H3,(H,16,18).
What are the key properties of 2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide?
2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-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-methoxy-5-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 4525624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).