2-(2-methoxy-6-nitroanilino)benzoic acid

C14H12N2O5 — CID 121004512

IUPAC2-(2-methoxy-6-nitroanilino)benzoic acid
SMILESCOc1cccc([N+](=O)[O-])c1Nc1ccccc1C(=O)O
InChIInChI=1S/C14H12N2O5/c1-21-12-8-4-7-11(16(19)20)13(12)15-10-6-3-2-5-9(10)14(17)18/h2-8,15H,1H3,(H,17,18)
InChIKeyBHTGRDNOWJEVRJ-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.05
Rot. Bonds5

About 2-(2-methoxy-6-nitroanilino)benzoic acid

2-(2-methoxy-6-nitroanilino)benzoic acid (PubChem CID 121004512) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-(2-methoxy-6-nitroanilino)benzoic acid.

Molecular Properties

Compound Name2-(2-methoxy-6-nitroanilino)benzoic acid
PubChem CID121004512
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name2-(2-methoxy-6-nitroanilino)benzoic acid
SMILESCOc1cccc([N+](=O)[O-])c1Nc1ccccc1C(=O)O
InChIInChI=1S/C14H12N2O5/c1-21-12-8-4-7-11(16(19)20)13(12)15-10-6-3-2-5-9(10)14(17)18/h2-8,15H,1H3,(H,17,18)
InChIKeyBHTGRDNOWJEVRJ-UHFFFAOYSA-N
XLogP3.05
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4,5-dimethoxyphthalic acid;3-nitrophthalic acid
CID 158686651
(2R)-2-(2-methoxy-6-nitroanilino)propanoic acid
CID 129389955
3-(2-methoxyphenyl)-2-nitrobenzoic acid
CID 141393967
2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide
CID 38112763
2-(2-methoxyphenoxy)-N-(2-nitrophenyl)benzamide
CID 38114692
N-ethyl-2-methoxy-6-nitroaniline
CID 89287909
2-(2,2-dimethylpropylamino)-3-nitrobenzoic acid
CID 112576864
2-(2-methyl-3-nitrophenoxy)benzoic acid
CID 14920125
2-(2-nitrophenoxy)benzoic acid
CID 19922477
methyl 2-(2-methoxyphenyl)-3-nitrobenzoate
CID 22740443
benzene;2-nitrobenzoic acid
CID 19891435
2-(2-methyl-6-nitrophenoxy)benzoic acid
CID 115554008

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-6-nitroanilino)benzoic acid?
The IUPAC name of 2-(2-methoxy-6-nitroanilino)benzoic acid (CID 121004512) is 2-(2-methoxy-6-nitroanilino)benzoic acid.
What is the SMILES notation for 2-(2-methoxy-6-nitroanilino)benzoic acid?
The canonical SMILES for 2-(2-methoxy-6-nitroanilino)benzoic acid is COc1cccc([N+](=O)[O-])c1Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-methoxy-6-nitroanilino)benzoic acid?
The InChIKey is BHTGRDNOWJEVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-21-12-8-4-7-11(16(19)20)13(12)15-10-6-3-2-5-9(10)14(17)18/h2-8,15H,1H3,(H,17,18).
What are the key properties of 2-(2-methoxy-6-nitroanilino)benzoic acid?
2-(2-methoxy-6-nitroanilino)benzoic acid has a molecular weight of 288.26 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-6-nitroanilino)benzoic acid is sourced from PubChem (CID 121004512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).