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

C12H8ClN3O3 — CID 2850411

IUPACN-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccnc1
InChIInChI=1S/C12H8ClN3O3/c13-10-6-9(16(18)19)3-4-11(10)15-12(17)8-2-1-5-14-7-8/h1-7H,(H,15,17)
InChIKeyIMKRMMGXBOMDLF-UHFFFAOYSA-N
MW277.67 g/mol
LogP2.90
Rot. Bonds3

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

N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide (PubChem CID 2850411) has the molecular formula C12H8ClN3O3 and a molecular weight of 277.67 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide
PubChem CID2850411
Molecular FormulaC12H8ClN3O3
Molecular Weight277.67 g/mol
Exact Mass277.03
IUPAC NameN-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccnc1
InChIInChI=1S/C12H8ClN3O3/c13-10-6-9(16(18)19)3-4-11(10)15-12(17)8-2-1-5-14-7-8/h1-7H,(H,15,17)
InChIKeyIMKRMMGXBOMDLF-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

4-nitro-2-(pyridine-3-carbonylamino)phenolate
CID 6946227
N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188695
N-(2-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64787918
N-(2-chloro-4-nitrophenyl)naphthalene-2-carboxamide
CID 21212432
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide
CID 25217158
2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide
CID 114325780
N-(2-chloro-4-nitrophenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108792492
6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide
CID 62234009
N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide
CID 50880463
N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide
CID 15547621
N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 693354

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide (CID 2850411) is N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccnc1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is IMKRMMGXBOMDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3/c13-10-6-9(16(18)19)3-4-11(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-4-nitrophenyl)pyridine-3-carboxamide?
N-(2-chloro-4-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-4-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2850411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).