2-(4-amino-3-methoxy-2-pyridinyl)benzoic acid

C13H12N2O3 — CID 122562100

IUPAC2-(4-amino-3-methoxy-2-pyridinyl)benzoic acid
SMILESCOc1c(N)ccnc1-c1ccccc1C(=O)O
InChIInChI=1S/C13H12N2O3/c1-18-12-10(14)6-7-15-11(12)8-4-2-3-5-9(8)13(16)17/h2-7H,1H3,(H2,14,15)(H,16,17)
InChIKeySKGFHCBZTHVNLN-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.04
Rot. Bonds3

About 2-(4-amino-3-methoxy-2-pyridinyl)benzoic acid

2-(4-amino-3-methoxy-2-pyridinyl)benzoic acid (PubChem CID 122562100) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(4-amino-3-methoxy-2-pyridinyl)benzoic acid.

Molecular Properties

Compound Name2-(4-amino-3-methoxy-2-pyridinyl)benzoic acid
PubChem CID122562100
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-(4-amino-3-methoxy-2-pyridinyl)benzoic acid
SMILESCOc1c(N)ccnc1-c1ccccc1C(=O)O
InChIInChI=1S/C13H12N2O3/c1-18-12-10(14)6-7-15-11(12)8-4-2-3-5-9(8)13(16)17/h2-7H,1H3,(H2,14,15)(H,16,17)
InChIKeySKGFHCBZTHVNLN-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

2-(6,7-dimethoxyisoquinolin-1-yl)benzoic acid
CID 71518068
3-amino-2-methoxybenzoic acid
CID 19849158
3-amino-2-methoxybenzoic acid;hydrochloride
CID 163206997
(3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 118853196
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
2-amino-5-(2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222773
2-(2-pyridin-2-yl-3-pyridinyl)benzoic acid
CID 141463782
1-methoxyisoquinoline-5-carboxylic acid
CID 82569725
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
ethyl 2-diazo-2-(2-isoquinolin-1-ylphenyl)acetate
CID 142738015
[3-amino-2-(2-methoxyphenyl)-4-pyridinyl]-(2-chlorophenyl)methanone
CID 24744662

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methoxy-2-pyridinyl)benzoic acid?
The IUPAC name of 2-(4-amino-3-methoxy-2-pyridinyl)benzoic acid (CID 122562100) is 2-(4-amino-3-methoxy-2-pyridinyl)benzoic acid.
What is the SMILES notation for 2-(4-amino-3-methoxy-2-pyridinyl)benzoic acid?
The canonical SMILES for 2-(4-amino-3-methoxy-2-pyridinyl)benzoic acid is COc1c(N)ccnc1-c1ccccc1C(=O)O.
What is the InChIKey of 2-(4-amino-3-methoxy-2-pyridinyl)benzoic acid?
The InChIKey is SKGFHCBZTHVNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-18-12-10(14)6-7-15-11(12)8-4-2-3-5-9(8)13(16)17/h2-7H,1H3,(H2,14,15)(H,16,17).
What are the key properties of 2-(4-amino-3-methoxy-2-pyridinyl)benzoic acid?
2-(4-amino-3-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 2-(4-amino-3-methoxy-2-pyridinyl)benzoic acid is sourced from PubChem (CID 122562100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).