6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid

C13H8N4O7 — CID 102437083

IUPAC6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1
InChIInChI=1S/C13H8N4O7/c18-12(9-2-1-3-10(14-9)13(19)20)15-8-5-4-7(16(21)22)6-11(8)17(23)24/h1-6H,(H,15,18)(H,19,20)
InChIKeyMKGKLPCNVIRBPS-UHFFFAOYSA-N
MW332.23 g/mol
LogP1.85
Rot. Bonds5

About 6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid

6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 102437083) has the molecular formula C13H8N4O7 and a molecular weight of 332.23 g/mol. Its IUPAC name is 6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID102437083
Molecular FormulaC13H8N4O7
Molecular Weight332.23 g/mol
Exact Mass332.04
IUPAC Name6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1
InChIInChI=1S/C13H8N4O7/c18-12(9-2-1-3-10(14-9)13(19)20)15-8-5-4-7(16(21)22)6-11(8)17(23)24/h1-6H,(H,15,18)(H,19,20)
InChIKeyMKGKLPCNVIRBPS-UHFFFAOYSA-N
XLogP1.85
TPSA165.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628
2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 3620305
(2,4-dinitrophenyl)carbamic acid
CID 154114547
6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide
CID 62234009
N-(2,4-dinitrophenyl)-1,3-thiazole-4-carboxamide
CID 63047836
2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 4079901
N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide
CID 4674199
6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 115496793
ethyl 6-[(4-methyl-2-nitrophenyl)carbamoyl]pyridine-2-carboxylate
CID 5154245
6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide
CID 22668935
6-bromo-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide
CID 103874163

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid (CID 102437083) is 6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1.
What is the InChIKey of 6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is MKGKLPCNVIRBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O7/c18-12(9-2-1-3-10(14-9)13(19)20)15-8-5-4-7(16(21)22)6-11(8)17(23)24/h1-6H,(H,15,18)(H,19,20).
What are the key properties of 6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 332.23 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 102437083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).