2-nitro-6-[(pyridine-4-carbonylamino)carbamoyl]benzoic acid

C14H10N4O6 — CID 155548673

IUPAC2-nitro-6-[(pyridine-4-carbonylamino)carbamoyl]benzoic acid
SMILESO=C(NNC(=O)c1cccc([N+](=O)[O-])c1C(=O)O)c1ccncc1
InChIInChI=1S/C14H10N4O6/c19-12(8-4-6-15-7-5-8)16-17-13(20)9-2-1-3-10(18(23)24)11(9)14(21)22/h1-7H,(H,16,19)(H,17,20)(H,21,22)
InChIKeyLQWSLLPHSLFTAD-UHFFFAOYSA-N
MW330.26 g/mol
LogP0.76
Rot. Bonds4

About 2-nitro-6-[(pyridine-4-carbonylamino)carbamoyl]benzoic acid

2-nitro-6-[(pyridine-4-carbonylamino)carbamoyl]benzoic acid (PubChem CID 155548673) has the molecular formula C14H10N4O6 and a molecular weight of 330.26 g/mol. Its IUPAC name is 2-nitro-6-[(pyridine-4-carbonylamino)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-nitro-6-[(pyridine-4-carbonylamino)carbamoyl]benzoic acid
PubChem CID155548673
Molecular FormulaC14H10N4O6
Molecular Weight330.26 g/mol
Exact Mass330.06
IUPAC Name2-nitro-6-[(pyridine-4-carbonylamino)carbamoyl]benzoic acid
SMILESO=C(NNC(=O)c1cccc([N+](=O)[O-])c1C(=O)O)c1ccncc1
InChIInChI=1S/C14H10N4O6/c19-12(8-4-6-15-7-5-8)16-17-13(20)9-2-1-3-10(18(23)24)11(9)14(21)22/h1-7H,(H,16,19)(H,17,20)(H,21,22)
InChIKeyLQWSLLPHSLFTAD-UHFFFAOYSA-N
XLogP0.76
TPSA151.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

CID 70569621
CID 70569621
sodium 2-carboxy-3-nitrobenzoate
CID 70569623
2-[(2-iodophenyl)carbamoyl]-6-nitrobenzoic acid
CID 3091451
2-[(3-methyl-4-nitrophenyl)carbamoyl]-6-nitrobenzoic acid
CID 4609006
(2-iodo-6-nitrophenyl)-pyridin-4-ylmethanone
CID 134638323
2-nitro-6-(pyridin-4-ylmethoxy)benzoic acid
CID 107341336
sodium;hydride;2-methoxycarbonyl-6-nitrobenzoic acid
CID 173336466
sodium;2,6-dinitrobenzoic acid;sulfanide
CID 174749266
(2S)-2-[(2-carboxy-3-nitrobenzoyl)amino]pentanedioic acid
CID 175766216
1-(3-nitrophenyl)-3-(pyridine-4-carbonylamino)thiourea
CID 86572691
N'-(2-fluorobenzoyl)pyridine-4-carbohydrazide
CID 959956
2-nitro-N-pyridin-4-ylbenzamide
CID 766646

Frequently Asked Questions

What is the IUPAC name of 2-nitro-6-[(pyridine-4-carbonylamino)carbamoyl]benzoic acid?
The IUPAC name of 2-nitro-6-[(pyridine-4-carbonylamino)carbamoyl]benzoic acid (CID 155548673) is 2-nitro-6-[(pyridine-4-carbonylamino)carbamoyl]benzoic acid.
What is the SMILES notation for 2-nitro-6-[(pyridine-4-carbonylamino)carbamoyl]benzoic acid?
The canonical SMILES for 2-nitro-6-[(pyridine-4-carbonylamino)carbamoyl]benzoic acid is O=C(NNC(=O)c1cccc([N+](=O)[O-])c1C(=O)O)c1ccncc1.
What is the InChIKey of 2-nitro-6-[(pyridine-4-carbonylamino)carbamoyl]benzoic acid?
The InChIKey is LQWSLLPHSLFTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O6/c19-12(8-4-6-15-7-5-8)16-17-13(20)9-2-1-3-10(18(23)24)11(9)14(21)22/h1-7H,(H,16,19)(H,17,20)(H,21,22).
What are the key properties of 2-nitro-6-[(pyridine-4-carbonylamino)carbamoyl]benzoic acid?
2-nitro-6-[(pyridine-4-carbonylamino)carbamoyl]benzoic acid has a molecular weight of 330.26 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-6-[(pyridine-4-carbonylamino)carbamoyl]benzoic acid is sourced from PubChem (CID 155548673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).