6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid

C13H11NO4 — CID 141058986

IUPAC6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2cccc(C(=O)O)n2)cc1O
InChIInChI=1S/C13H11NO4/c1-18-12-6-5-8(7-11(12)15)9-3-2-4-10(14-9)13(16)17/h2-7,15H,1H3,(H,16,17)
InChIKeyBFQZYBXGIOPYEV-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.16
Rot. Bonds3

About 6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid

6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 141058986) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid
PubChem CID141058986
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2cccc(C(=O)O)n2)cc1O
InChIInChI=1S/C13H11NO4/c1-18-12-6-5-8(7-11(12)15)9-3-2-4-10(14-9)13(16)17/h2-7,15H,1H3,(H,16,17)
InChIKeyBFQZYBXGIOPYEV-UHFFFAOYSA-N
XLogP2.16
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-(Trifluoromethyl)phenoxy)picolinic acid
CID 4271775
[6-(3-Hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone
CID 138857390
2-(3,4-Dimethoxyphenyl)quinoline-4-carboxylic acid
CID 673703
[6-(3,4-Dihydroxyphenyl)pyridin-2-Yl](4-Fluoro-3-Hydroxyphenyl)methanone
CID 135567153
4-(4-Methoxyphenyl)pyridine-2,6-dicarboxylic acid
CID 102499907
Nbi-31772
CID 135543997
4-(4-Hydroxyphenyl)pyridine-2,6-dicarboxylic acid
CID 136706344
4-(2-Hydroxyphenyl)pyridine-2,6-dicarboxylic acid
CID 137657113
ethyl 4-[(E)-3-(3-hydroxy-4-methoxyphenyl)-2-methylprop-2-enoyl]quinoline-2-carboxylate
CID 141746325
Diethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 1241288
7-hydroxy-1-(3-hydroxy-4-methoxy-benzoyl)-6-methoxy-isoquinoline-3-carboxylic Acid
CID 11089952
4-(2-Methoxyphenyl)pyridine-2,6-dicarboxylic acid
CID 12843430

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid (CID 141058986) is 6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid is COc1ccc(-c2cccc(C(=O)O)n2)cc1O.
What is the InChIKey of 6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is BFQZYBXGIOPYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-18-12-6-5-8(7-11(12)15)9-3-2-4-10(14-9)13(16)17/h2-7,15H,1H3,(H,16,17).
What are the key properties of 6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid?
6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 141058986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).