2-(2-aminobenzoyl)-6-nitrobenzoic acid

C14H10N2O5 — CID 139660057

IUPAC2-(2-aminobenzoyl)-6-nitrobenzoic acid
SMILESNc1ccccc1C(=O)c1cccc([N+](=O)[O-])c1C(=O)O
InChIInChI=1S/C14H10N2O5/c15-10-6-2-1-4-8(10)13(17)9-5-3-7-11(16(20)21)12(9)14(18)19/h1-7H,15H2,(H,18,19)
InChIKeyBLIFZJLJPASVQN-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.11
Rot. Bonds4

About 2-(2-aminobenzoyl)-6-nitrobenzoic acid

2-(2-aminobenzoyl)-6-nitrobenzoic acid (PubChem CID 139660057) has the molecular formula C14H10N2O5 and a molecular weight of 286.24 g/mol. Its IUPAC name is 2-(2-aminobenzoyl)-6-nitrobenzoic acid.

Molecular Properties

Compound Name2-(2-aminobenzoyl)-6-nitrobenzoic acid
PubChem CID139660057
Molecular FormulaC14H10N2O5
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name2-(2-aminobenzoyl)-6-nitrobenzoic acid
SMILESNc1ccccc1C(=O)c1cccc([N+](=O)[O-])c1C(=O)O
InChIInChI=1S/C14H10N2O5/c15-10-6-2-1-4-8(10)13(17)9-5-3-7-11(16(20)21)12(9)14(18)19/h1-7H,15H2,(H,18,19)
InChIKeyBLIFZJLJPASVQN-UHFFFAOYSA-N
XLogP2.11
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

CID 70569621
CID 70569621
sodium 2-carboxy-3-nitrobenzoate
CID 70569623
2-(1H-indole-3-carbonyl)-6-nitrobenzoic acid
CID 154150793
sodium;2,6-dinitrobenzoic acid;sulfanide
CID 174749266
(2-amino-5-nitrophenyl)-(2-nitrophenyl)methanone
CID 11580100
benzene;2-nitrobenzoic acid
CID 19891435
4,5-dimethoxyphthalic acid;3-nitrophthalic acid
CID 158686651
potassium 2-amino-6-nitrobenzoate
CID 71764475
(2-amino-5-chlorophenyl)-(2-nitrophenyl)methanone
CID 15908933
sodium;hydride;2-methoxycarbonyl-6-nitrobenzoic acid
CID 173336466
N,N-diethylethanamine;3-nitrophthalic acid
CID 173102006
2-(2-aminobenzoyl)benzoate
CID 6919456

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobenzoyl)-6-nitrobenzoic acid?
The IUPAC name of 2-(2-aminobenzoyl)-6-nitrobenzoic acid (CID 139660057) is 2-(2-aminobenzoyl)-6-nitrobenzoic acid.
What is the SMILES notation for 2-(2-aminobenzoyl)-6-nitrobenzoic acid?
The canonical SMILES for 2-(2-aminobenzoyl)-6-nitrobenzoic acid is Nc1ccccc1C(=O)c1cccc([N+](=O)[O-])c1C(=O)O.
What is the InChIKey of 2-(2-aminobenzoyl)-6-nitrobenzoic acid?
The InChIKey is BLIFZJLJPASVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5/c15-10-6-2-1-4-8(10)13(17)9-5-3-7-11(16(20)21)12(9)14(18)19/h1-7H,15H2,(H,18,19).
What are the key properties of 2-(2-aminobenzoyl)-6-nitrobenzoic acid?
2-(2-aminobenzoyl)-6-nitrobenzoic acid has a molecular weight of 286.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobenzoyl)-6-nitrobenzoic acid is sourced from PubChem (CID 139660057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).