6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid

C13H12N2O2 — CID 125488527

IUPAC6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid
SMILESCc1cc(C(=O)O)nc(-c2ccc(N)cc2)c1
InChIInChI=1S/C13H12N2O2/c1-8-6-11(15-12(7-8)13(16)17)9-2-4-10(14)5-3-9/h2-7H,14H2,1H3,(H,16,17)
InChIKeyPAUDQSTURXIION-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.34
Rot. Bonds2

About 6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid

6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid (PubChem CID 125488527) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid
PubChem CID125488527
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid
SMILESCc1cc(C(=O)O)nc(-c2ccc(N)cc2)c1
InChIInChI=1S/C13H12N2O2/c1-8-6-11(15-12(7-8)13(16)17)9-2-4-10(14)5-3-9/h2-7H,14H2,1H3,(H,16,17)
InChIKeyPAUDQSTURXIION-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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Related Compounds

7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82092183
7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271539
2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid
CID 28799538
2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 28799560
4-methyl-6-(1-methylbenzimidazol-2-yl)pyridine-2-carboxylic acid
CID 134595074
6-phenylpyridine-2,4-dicarboxylic acid
CID 10633973
benzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid
CID 20537523
4-[2,6-bis(4-aminophenyl)-4-pyridinyl]aniline
CID 86022231
2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 143633269
6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid
CID 63839625
4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline
CID 630837
4-(4,6-diphenylpyrimidin-2-yl)aniline
CID 629613

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid?
The IUPAC name of 6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid (CID 125488527) is 6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid is Cc1cc(C(=O)O)nc(-c2ccc(N)cc2)c1.
What is the InChIKey of 6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid?
The InChIKey is PAUDQSTURXIION-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-8-6-11(15-12(7-8)13(16)17)9-2-4-10(14)5-3-9/h2-7H,14H2,1H3,(H,16,17).
What are the key properties of 6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid?
6-(4-aminophenyl)-4-methylpyridine-2-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 6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 125488527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).