6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid

C13H12N2O3 — CID 53229205

IUPAC6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1cccc(-c2ccc(N)nc2C(=O)O)c1
InChIInChI=1S/C13H12N2O3/c1-18-9-4-2-3-8(7-9)10-5-6-11(14)15-12(10)13(16)17/h2-7H,1H3,(H2,14,15)(H,16,17)
InChIKeyAXZDOTQUESIWIC-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.04
Rot. Bonds3

About 6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid

6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 53229205) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid
PubChem CID53229205
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1cccc(-c2ccc(N)nc2C(=O)O)c1
InChIInChI=1S/C13H12N2O3/c1-18-9-4-2-3-8(7-9)10-5-6-11(14)15-12(10)13(16)17/h2-7H,1H3,(H2,14,15)(H,16,17)
InChIKeyAXZDOTQUESIWIC-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-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53229467
6-amino-3-phenylpyridine-2-carboxylic acid
CID 46314647
6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid
CID 53229349
3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983911
6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid
CID 53229646
6-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
CID 53229690
4-amino-2-(3-methoxyphenyl)benzoic acid
CID 82293595
5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid
CID 53229622
2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82475428
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid
CID 13073206
6-amino-3-(furan-2-yl)pyridine-2-carboxylic acid
CID 53229114

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid (CID 53229205) is 6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid is COc1cccc(-c2ccc(N)nc2C(=O)O)c1.
What is the InChIKey of 6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is AXZDOTQUESIWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-18-9-4-2-3-8(7-9)10-5-6-11(14)15-12(10)13(16)17/h2-7H,1H3,(H2,14,15)(H,16,17).
What are the key properties of 6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid?
6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic 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 6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 53229205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).