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

C13H10ClN3O4 — CID 2108909

IUPAC6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H10ClN3O4/c1-21-11-4-3-9(17(19)20)6-10(11)16-13(18)8-2-5-12(14)15-7-8/h2-7H,1H3,(H,16,18)
InChIKeyBFMJMLDPTDNPIC-UHFFFAOYSA-N
MW307.69 g/mol
LogP2.90
Rot. Bonds4

About 6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide

6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide (PubChem CID 2108909) has the molecular formula C13H10ClN3O4 and a molecular weight of 307.69 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
PubChem CID2108909
Molecular FormulaC13H10ClN3O4
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Name6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H10ClN3O4/c1-21-11-4-3-9(17(19)20)6-10(11)16-13(18)8-2-5-12(14)15-7-8/h2-7H,1H3,(H,16,18)
InChIKeyBFMJMLDPTDNPIC-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-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide
CID 22668935
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide
CID 107260793
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]pyridine-3-carboxamide
CID 8011851
4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2213710
2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 4525624
3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 46615926
3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 1013418
2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide
CID 106685355
4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide
CID 92664189
3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2915297

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide (CID 2108909) is 6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is BFMJMLDPTDNPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4/c1-21-11-4-3-9(17(19)20)6-10(11)16-13(18)8-2-5-12(14)15-7-8/h2-7H,1H3,(H,16,18).
What are the key properties of 6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide?
6-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 6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2108909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).