2-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid

C14H13NO4 — CID 57210364

IUPAC2-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid
SMILESCOc1cc(-c2ncccc2C(=O)O)ccc1CO
InChIInChI=1S/C14H13NO4/c1-19-12-7-9(4-5-10(12)8-16)13-11(14(17)18)3-2-6-15-13/h2-7,16H,8H2,1H3,(H,17,18)
InChIKeyBCKHPHKDFZZYJA-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.95
Rot. Bonds4

About 2-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid

2-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid (PubChem CID 57210364) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid
PubChem CID57210364
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid
SMILESCOc1cc(-c2ncccc2C(=O)O)ccc1CO
InChIInChI=1S/C14H13NO4/c1-19-12-7-9(4-5-10(12)8-16)13-11(14(17)18)3-2-6-15-13/h2-7,16H,8H2,1H3,(H,17,18)
InChIKeyBCKHPHKDFZZYJA-UHFFFAOYSA-N
XLogP1.95
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dimethoxyphenyl)-3-pyridinyl]methanol
CID 54102100
2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid
CID 19700750
[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol
CID 22557920
[2-(3,5-dimethoxy-4-methylphenyl)-3-pyridinyl]methanol
CID 142818156
2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53224258
2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53223736
[2-methoxy-4-(6-methyl-3-pyridinyl)phenyl]methanol
CID 172651536
[3-(3,4-dimethoxyphenyl)-2-pyridinyl]methanol
CID 54504327
2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid
CID 82089202
2-[(5-bromo-2,4-dimethoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 10572066
2-(3-cyano-4-hexoxyphenyl)pyridine-3-carboxylic acid
CID 68701412
2-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223643

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid (CID 57210364) is 2-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid is COc1cc(-c2ncccc2C(=O)O)ccc1CO.
What is the InChIKey of 2-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid?
The InChIKey is BCKHPHKDFZZYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-19-12-7-9(4-5-10(12)8-16)13-11(14(17)18)3-2-6-15-13/h2-7,16H,8H2,1H3,(H,17,18).
What are the key properties of 2-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid?
2-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 57210364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).