4-(6-amino-5-methoxy-2-pyridinyl)benzoic acid

C13H12N2O3 — CID 82556304

IUPAC4-(6-amino-5-methoxy-2-pyridinyl)benzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)cc2)nc1N
InChIInChI=1S/C13H12N2O3/c1-18-11-7-6-10(15-12(11)14)8-2-4-9(5-3-8)13(16)17/h2-7H,1H3,(H2,14,15)(H,16,17)
InChIKeyUQOOXUVLCLYRGS-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.04
Rot. Bonds3

About 4-(6-amino-5-methoxy-2-pyridinyl)benzoic acid

4-(6-amino-5-methoxy-2-pyridinyl)benzoic acid (PubChem CID 82556304) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-(6-amino-5-methoxy-2-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-(6-amino-5-methoxy-2-pyridinyl)benzoic acid
PubChem CID82556304
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4-(6-amino-5-methoxy-2-pyridinyl)benzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)cc2)nc1N
InChIInChI=1S/C13H12N2O3/c1-18-11-7-6-10(15-12(11)14)8-2-4-9(5-3-8)13(16)17/h2-7H,1H3,(H2,14,15)(H,16,17)
InChIKeyUQOOXUVLCLYRGS-UHFFFAOYSA-N
XLogP2.04
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-tert-butylphenyl)-3-methoxypyridin-2-amine
CID 82556285
6-(3-aminophenyl)-3-methoxypyridin-2-amine
CID 82556270
3-methoxy-6-quinolin-3-ylpyridin-2-amine
CID 82556278
4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11439916
4-(5-methoxypyrazin-2-yl)benzoic acid
CID 67257014
3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 82086444
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53229467
4-amino-3-methoxybenzoic acid;ethane
CID 91282219

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-methoxy-2-pyridinyl)benzoic acid?
The IUPAC name of 4-(6-amino-5-methoxy-2-pyridinyl)benzoic acid (CID 82556304) is 4-(6-amino-5-methoxy-2-pyridinyl)benzoic acid.
What is the SMILES notation for 4-(6-amino-5-methoxy-2-pyridinyl)benzoic acid?
The canonical SMILES for 4-(6-amino-5-methoxy-2-pyridinyl)benzoic acid is COc1ccc(-c2ccc(C(=O)O)cc2)nc1N.
What is the InChIKey of 4-(6-amino-5-methoxy-2-pyridinyl)benzoic acid?
The InChIKey is UQOOXUVLCLYRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-18-11-7-6-10(15-12(11)14)8-2-4-9(5-3-8)13(16)17/h2-7H,1H3,(H2,14,15)(H,16,17).
What are the key properties of 4-(6-amino-5-methoxy-2-pyridinyl)benzoic acid?
4-(6-amino-5-methoxy-2-pyridinyl)benzoic acid has a molecular weight of 244.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-methoxy-2-pyridinyl)benzoic acid is sourced from PubChem (CID 82556304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).