5-(3-aminophenyl)-2-methylpyridine-3-carboxylic acid

C13H12N2O2 — CID 174494302

IUPAC5-(3-aminophenyl)-2-methylpyridine-3-carboxylic acid
SMILESCc1ncc(-c2cccc(N)c2)cc1C(=O)O
InChIInChI=1S/C13H12N2O2/c1-8-12(13(16)17)6-10(7-15-8)9-3-2-4-11(14)5-9/h2-7H,14H2,1H3,(H,16,17)
InChIKeyYJTOQRVRYXAJCQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.34
Rot. Bonds2

About 5-(3-aminophenyl)-2-methylpyridine-3-carboxylic acid

5-(3-aminophenyl)-2-methylpyridine-3-carboxylic acid (PubChem CID 174494302) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-(3-aminophenyl)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-aminophenyl)-2-methylpyridine-3-carboxylic acid
PubChem CID174494302
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name5-(3-aminophenyl)-2-methylpyridine-3-carboxylic acid
SMILESCc1ncc(-c2cccc(N)c2)cc1C(=O)O
InChIInChI=1S/C13H12N2O2/c1-8-12(13(16)17)6-10(7-15-8)9-3-2-4-11(14)5-9/h2-7H,14H2,1H3,(H,16,17)
InChIKeyYJTOQRVRYXAJCQ-UHFFFAOYSA-N
XLogP2.34
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenyl)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 5-(3-aminophenyl)-2-methylpyridine-3-carboxylic acid (CID 174494302) is 5-(3-aminophenyl)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-aminophenyl)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-aminophenyl)-2-methylpyridine-3-carboxylic acid is Cc1ncc(-c2cccc(N)c2)cc1C(=O)O.
What is the InChIKey of 5-(3-aminophenyl)-2-methylpyridine-3-carboxylic acid?
The InChIKey is YJTOQRVRYXAJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-8-12(13(16)17)6-10(7-15-8)9-3-2-4-11(14)5-9/h2-7H,14H2,1H3,(H,16,17).
What are the key properties of 5-(3-aminophenyl)-2-methylpyridine-3-carboxylic acid?
5-(3-aminophenyl)-2-methylpyridine-3-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 174494302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).