3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid

C14H13NO3 — CID 177288276

IUPAC3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid
SMILESCOc1cc(C(=O)O)ccc1Cc1ccccn1
InChIInChI=1S/C14H13NO3/c1-18-13-9-11(14(16)17)6-5-10(13)8-12-4-2-3-7-15-12/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeySCFLCIJGEFLZNB-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.38
Rot. Bonds4

About 3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid

3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid (PubChem CID 177288276) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid.

Molecular Properties

Compound Name3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid
PubChem CID177288276
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid
SMILESCOc1cc(C(=O)O)ccc1Cc1ccccn1
InChIInChI=1S/C14H13NO3/c1-18-13-9-11(14(16)17)6-5-10(13)8-12-4-2-3-7-15-12/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeySCFLCIJGEFLZNB-UHFFFAOYSA-N
XLogP2.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid
CID 107957284
8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid
CID 67896407
5-methyl-2-(pyridin-2-ylmethyl)benzoic acid
CID 81111725
3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid
CID 29006324
3,4-dimethoxybenzoic acid;methanol
CID 144580050
3-fluoro-4-[(2-methoxyphenoxy)methyl]benzoic acid
CID 63072909
3-fluoro-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]benzoic acid
CID 63069441
methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
CID 69001811
3-methoxy-4-(2-pyridin-2-ylpropan-2-yloxy)benzoic acid
CID 117053458
4-(pyridin-2-ylmethoxymethyl)benzoic acid
CID 83213493
3-methoxy-4-(propan-2-yloxymethyl)benzoic acid
CID 117219897
4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid
CID 19906374

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid?
The IUPAC name of 3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid (CID 177288276) is 3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid.
What is the SMILES notation for 3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid?
The canonical SMILES for 3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid is COc1cc(C(=O)O)ccc1Cc1ccccn1.
What is the InChIKey of 3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid?
The InChIKey is SCFLCIJGEFLZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-13-9-11(14(16)17)6-5-10(13)8-12-4-2-3-7-15-12/h2-7,9H,8H2,1H3,(H,16,17).
What are the key properties of 3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid?
3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid has a molecular weight of 243.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid is sourced from PubChem (CID 177288276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).