2-amino-5-[(2-methyl-3-pyridinyl)amino]benzoic acid

C13H13N3O2 — CID 79044019

IUPAC2-amino-5-[(2-methyl-3-pyridinyl)amino]benzoic acid
SMILESCc1ncccc1Nc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C13H13N3O2/c1-8-12(3-2-6-15-8)16-9-4-5-11(14)10(7-9)13(17)18/h2-7,16H,14H2,1H3,(H,17,18)
InChIKeyKQRQWJREKUMAJD-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.41
Rot. Bonds3

About 2-amino-5-[(2-methyl-3-pyridinyl)amino]benzoic acid

2-amino-5-[(2-methyl-3-pyridinyl)amino]benzoic acid (PubChem CID 79044019) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-amino-5-[(2-methyl-3-pyridinyl)amino]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[(2-methyl-3-pyridinyl)amino]benzoic acid
PubChem CID79044019
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-amino-5-[(2-methyl-3-pyridinyl)amino]benzoic acid
SMILESCc1ncccc1Nc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C13H13N3O2/c1-8-12(3-2-6-15-8)16-9-4-5-11(14)10(7-9)13(17)18/h2-7,16H,14H2,1H3,(H,17,18)
InChIKeyKQRQWJREKUMAJD-UHFFFAOYSA-N
XLogP2.41
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid
CID 79043675
6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243431
4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243430
2-amino-5-(2,3-dichloroanilino)benzoic acid
CID 54888225
2-amino-5-(2-bromo-5-methylanilino)benzoic acid
CID 82766993
2-amino-5-(4-bromo-3-methylanilino)benzoic acid
CID 60990156
2-amino-5-(2,4,6-trimethylanilino)benzoic acid
CID 60988908
2-amino-5-(4-methylsulfonylanilino)benzoic acid
CID 60989498
2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide
CID 79713450
methyl 5-amino-2-[(2-methyl-3-pyridinyl)amino]benzoate
CID 79043332
2-amino-5-(4-bromoanilino)benzoic acid
CID 54887896
2-amino-5-(2,5-difluoroanilino)benzoic acid
CID 55021325

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2-methyl-3-pyridinyl)amino]benzoic acid?
The IUPAC name of 2-amino-5-[(2-methyl-3-pyridinyl)amino]benzoic acid (CID 79044019) is 2-amino-5-[(2-methyl-3-pyridinyl)amino]benzoic acid.
What is the SMILES notation for 2-amino-5-[(2-methyl-3-pyridinyl)amino]benzoic acid?
The canonical SMILES for 2-amino-5-[(2-methyl-3-pyridinyl)amino]benzoic acid is Cc1ncccc1Nc1ccc(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-[(2-methyl-3-pyridinyl)amino]benzoic acid?
The InChIKey is KQRQWJREKUMAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-12(3-2-6-15-8)16-9-4-5-11(14)10(7-9)13(17)18/h2-7,16H,14H2,1H3,(H,17,18).
What are the key properties of 2-amino-5-[(2-methyl-3-pyridinyl)amino]benzoic acid?
2-amino-5-[(2-methyl-3-pyridinyl)amino]benzoic acid has a molecular weight of 243.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2-methyl-3-pyridinyl)amino]benzoic acid is sourced from PubChem (CID 79044019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).