6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide

C12H7ClN4O5 — CID 22668935

IUPAC6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)nc1
InChIInChI=1S/C12H7ClN4O5/c13-11-4-1-7(6-14-11)12(18)15-9-3-2-8(16(19)20)5-10(9)17(21)22/h1-6H,(H,15,18)
InChIKeyTUYSSGYYNPLMAM-UHFFFAOYSA-N
MW322.66 g/mol
LogP2.80
Rot. Bonds4

About 6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide

6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide (PubChem CID 22668935) has the molecular formula C12H7ClN4O5 and a molecular weight of 322.66 g/mol. Its IUPAC name is 6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide
PubChem CID22668935
Molecular FormulaC12H7ClN4O5
Molecular Weight322.66 g/mol
Exact Mass322.01
IUPAC Name6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)nc1
InChIInChI=1S/C12H7ClN4O5/c13-11-4-1-7(6-14-11)12(18)15-9-3-2-8(16(19)20)5-10(9)17(21)22/h1-6H,(H,15,18)
InChIKeyTUYSSGYYNPLMAM-UHFFFAOYSA-N
XLogP2.80
TPSA128.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.66
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 2108909
6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 115912537
1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714
N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide
CID 86248819
6-chloro-N-(2-methyl-3-nitrophenyl)pyridine-3-carboxamide
CID 9395574
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628
N-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide
CID 63047836
N-(4-amino-2-nitrophenyl)-4-nitrobenzamide
CID 3089914
(2,4-dinitrophenyl)carbamic acid
CID 154114547
4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide
CID 3956705
6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 102437083
6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
CID 24903449

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide (CID 22668935) is 6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide?
The InChIKey is TUYSSGYYNPLMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN4O5/c13-11-4-1-7(6-14-11)12(18)15-9-3-2-8(16(19)20)5-10(9)17(21)22/h1-6H,(H,15,18).
What are the key properties of 6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide?
6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide has a molecular weight of 322.66 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 22668935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).