4-(pyridin-2-ylmethoxymethyl)benzoic acid

C14H13NO3 — CID 83213493

IUPAC4-(pyridin-2-ylmethoxymethyl)benzoic acid
SMILESO=C(O)c1ccc(COCc2ccccn2)cc1
InChIInChI=1S/C14H13NO3/c16-14(17)12-6-4-11(5-7-12)9-18-10-13-3-1-2-8-15-13/h1-8H,9-10H2,(H,16,17)
InChIKeyLJDRKLUWEWMKAT-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.50
Rot. Bonds5

About 4-(pyridin-2-ylmethoxymethyl)benzoic acid

4-(pyridin-2-ylmethoxymethyl)benzoic acid (PubChem CID 83213493) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethoxymethyl)benzoic acid.

Molecular Properties

Compound Name4-(pyridin-2-ylmethoxymethyl)benzoic acid
PubChem CID83213493
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name4-(pyridin-2-ylmethoxymethyl)benzoic acid
SMILESO=C(O)c1ccc(COCc2ccccn2)cc1
InChIInChI=1S/C14H13NO3/c16-14(17)12-6-4-11(5-7-12)9-18-10-13-3-1-2-8-15-13/h1-8H,9-10H2,(H,16,17)
InChIKeyLJDRKLUWEWMKAT-UHFFFAOYSA-N
XLogP2.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(pyridin-2-ylmethoxymethyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(pyridin-2-yloxymethyl)benzoic acid
CID 21105508
4-[(4-tritylphenyl)methoxymethyl]benzoic acid
CID 174525236
benzoic acid;pyridin-2-ylmethanamine
CID 174853038
6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid
CID 82827551
methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
CID 83214326
CID 59434890
CID 59434890
3-(2-pyridin-2-ylethoxymethyl)benzoic acid
CID 29006188
6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid
CID 83214712
3-(pyridin-2-ylmethoxymethyl)thiophene-2-carboxylic acid
CID 83214023
4-(phenylmethoxymethoxy)benzoic acid
CID 102939337
4-(2-phenylethoxymethyl)benzoic acid
CID 28994595
4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid
CID 66864364

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethoxymethyl)benzoic acid?
The IUPAC name of 4-(pyridin-2-ylmethoxymethyl)benzoic acid (CID 83213493) is 4-(pyridin-2-ylmethoxymethyl)benzoic acid.
What is the SMILES notation for 4-(pyridin-2-ylmethoxymethyl)benzoic acid?
The canonical SMILES for 4-(pyridin-2-ylmethoxymethyl)benzoic acid is O=C(O)c1ccc(COCc2ccccn2)cc1.
What is the InChIKey of 4-(pyridin-2-ylmethoxymethyl)benzoic acid?
The InChIKey is LJDRKLUWEWMKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-14(17)12-6-4-11(5-7-12)9-18-10-13-3-1-2-8-15-13/h1-8H,9-10H2,(H,16,17).
What are the key properties of 4-(pyridin-2-ylmethoxymethyl)benzoic acid?
4-(pyridin-2-ylmethoxymethyl)benzoic acid has a molecular weight of 243.26 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethoxymethyl)benzoic acid is sourced from PubChem (CID 83213493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).