4-[3-(methoxymethyl)-2-pyridinyl]benzoic acid

C14H13NO3 — CID 59165723

IUPAC4-[3-(methoxymethyl)-2-pyridinyl]benzoic acid
SMILESCOCc1cccnc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H13NO3/c1-18-9-12-3-2-8-15-13(12)10-4-6-11(7-5-10)14(16)17/h2-8H,9H2,1H3,(H,16,17)
InChIKeyAGZZORALHFWCIY-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.59
Rot. Bonds4

About 4-[3-(methoxymethyl)-2-pyridinyl]benzoic acid

4-[3-(methoxymethyl)-2-pyridinyl]benzoic acid (PubChem CID 59165723) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[3-(methoxymethyl)-2-pyridinyl]benzoic acid
PubChem CID59165723
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name4-[3-(methoxymethyl)-2-pyridinyl]benzoic acid
SMILESCOCc1cccnc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H13NO3/c1-18-9-12-3-2-8-15-13(12)10-4-6-11(7-5-10)14(16)17/h2-8H,9H2,1H3,(H,16,17)
InChIKeyAGZZORALHFWCIY-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-3-(methoxymethyl)pyridine
CID 59165700
4-(3-methoxypyrazin-2-yl)benzoic acid
CID 67257988
4-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyridinyl]benzoic acid
CID 110120379
4-pyrimidin-2-ylbenzoic acid;hydrochloride
CID 45117414
2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid
CID 117001590
3-(methoxymethyl)pyridine-2-carbaldehyde
CID 87637871
4-[3-[[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]methyl]-2-pyridinyl]benzoic acid
CID 125019948
1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea
CID 95096708
[2-(4-chlorophenyl)-3-pyridinyl]methyl hydrogen sulfate
CID 163957282
2-methoxy-3-(methoxymethyl)pyridine
CID 67266398
6-[[2-(methoxymethyl)benzoyl]amino]pyridine-3-carboxylic acid
CID 61317359
4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid
CID 18973964

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)-2-pyridinyl]benzoic acid?
The IUPAC name of 4-[3-(methoxymethyl)-2-pyridinyl]benzoic acid (CID 59165723) is 4-[3-(methoxymethyl)-2-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[3-(methoxymethyl)-2-pyridinyl]benzoic acid?
The canonical SMILES for 4-[3-(methoxymethyl)-2-pyridinyl]benzoic acid is COCc1cccnc1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[3-(methoxymethyl)-2-pyridinyl]benzoic acid?
The InChIKey is AGZZORALHFWCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-9-12-3-2-8-15-13(12)10-4-6-11(7-5-10)14(16)17/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 4-[3-(methoxymethyl)-2-pyridinyl]benzoic acid?
4-[3-(methoxymethyl)-2-pyridinyl]benzoic acid has a molecular weight of 243.26 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)-2-pyridinyl]benzoic acid is sourced from PubChem (CID 59165723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).