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

C12H8ClN3O3 — CID 755950

IUPACN-(2-chloro-5-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccnc1
InChIInChI=1S/C12H8ClN3O3/c13-10-4-3-9(16(18)19)6-11(10)15-12(17)8-2-1-5-14-7-8/h1-7H,(H,15,17)
InChIKeyKGPBFMXMGNKRPE-UHFFFAOYSA-N
MW277.67 g/mol
LogP2.90
Rot. Bonds3

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

N-(2-chloro-5-nitrophenyl)pyridine-3-carboxamide (PubChem CID 755950) has the molecular formula C12H8ClN3O3 and a molecular weight of 277.67 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)pyridine-3-carboxamide
PubChem CID755950
Molecular FormulaC12H8ClN3O3
Molecular Weight277.67 g/mol
Exact Mass277.03
IUPAC NameN-(2-chloro-5-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccnc1
InChIInChI=1S/C12H8ClN3O3/c13-10-4-3-9(16(18)19)6-11(10)15-12(17)8-2-1-5-14-7-8/h1-7H,(H,15,17)
InChIKeyKGPBFMXMGNKRPE-UHFFFAOYSA-N
XLogP2.90
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 52.90
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

2-Chloro-5-nitro-N-4-pyridinylbenzamide
CID 2777391
N-(3,4-Dichlorophenyl)-3-pyridinecarboxamide
CID 668892
N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 771964
6-chloro-N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 2121893
2-chloro-N-[3-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 1869708
N-(2-Chloro-5-trifluoromethyl-phenyl)-nicotinamide
CID 668891
N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 668893
2-chloro-5-nitro-N-(pyridin-3-yl)benzamide
CID 765306
6-chloro-N-(4-methylphenyl)pyridine-3-carboxamide
CID 2664862
N-(2-methyl-5-nitrophenyl)pyridine-3-carboxamide
CID 771973
4-Chloro-5-Nitro-2-[(Pyridin-3-Ylmethyl)amino]benzamide
CID 25161461
N-(2-chlorophenyl)-1-oxidopyridin-1-ium-4-carboxamide
CID 2337629

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)pyridine-3-carboxamide (CID 755950) is N-(2-chloro-5-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)pyridine-3-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccnc1.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is KGPBFMXMGNKRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3/c13-10-4-3-9(16(18)19)6-11(10)15-12(17)8-2-1-5-14-7-8/h1-7H,(H,15,17).
What are the key properties of N-(2-chloro-5-nitrophenyl)pyridine-3-carboxamide?
N-(2-chloro-5-nitrophenyl)pyridine-3-carboxamide has a molecular weight of 277.67 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 755950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).