4-methyl-3-pyridin-2-yloxybenzoic acid

C13H11NO3 — CID 55031137

IUPAC4-methyl-3-pyridin-2-yloxybenzoic acid
SMILESCc1ccc(C(=O)O)cc1Oc1ccccn1
InChIInChI=1S/C13H11NO3/c1-9-5-6-10(13(15)16)8-11(9)17-12-4-2-3-7-14-12/h2-8H,1H3,(H,15,16)
InChIKeyGGJPSCQLFIWFAU-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.88
Rot. Bonds3

About 4-methyl-3-pyridin-2-yloxybenzoic acid

4-methyl-3-pyridin-2-yloxybenzoic acid (PubChem CID 55031137) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 4-methyl-3-pyridin-2-yloxybenzoic acid.

Molecular Properties

Compound Name4-methyl-3-pyridin-2-yloxybenzoic acid
PubChem CID55031137
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name4-methyl-3-pyridin-2-yloxybenzoic acid
SMILESCc1ccc(C(=O)O)cc1Oc1ccccn1
InChIInChI=1S/C13H11NO3/c1-9-5-6-10(13(15)16)8-11(9)17-12-4-2-3-7-14-12/h2-8H,1H3,(H,15,16)
InChIKeyGGJPSCQLFIWFAU-UHFFFAOYSA-N
XLogP2.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-pyridin-2-yloxybenzoic acid
CID 59625693
4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid
CID 83063808
3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid
CID 61396298
3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61396265
4-methyl-3-(4-methylpyrimidin-2-yl)oxybenzoic acid
CID 62960017
3-(2-tert-butylphenoxy)-4-methylbenzoic acid
CID 105405734
4-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)oxy]benzoic acid
CID 83259628
3-(5-fluoropyrimidin-2-yl)oxy-4-methylbenzoic acid
CID 113432161
(5-methoxy-2-pyridin-2-yloxyphenyl)-phenylmethanone
CID 154487334
3-(4-chloro-2,6-dimethylphenoxy)-4-methylbenzoic acid
CID 105405731
2-(3-methoxy-4-methylphenoxy)pyridine
CID 118928199
3-methyl-4-quinoxalin-2-yloxybenzoic acid
CID 107672759

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyridin-2-yloxybenzoic acid?
The IUPAC name of 4-methyl-3-pyridin-2-yloxybenzoic acid (CID 55031137) is 4-methyl-3-pyridin-2-yloxybenzoic acid.
What is the SMILES notation for 4-methyl-3-pyridin-2-yloxybenzoic acid?
The canonical SMILES for 4-methyl-3-pyridin-2-yloxybenzoic acid is Cc1ccc(C(=O)O)cc1Oc1ccccn1.
What is the InChIKey of 4-methyl-3-pyridin-2-yloxybenzoic acid?
The InChIKey is GGJPSCQLFIWFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-9-5-6-10(13(15)16)8-11(9)17-12-4-2-3-7-14-12/h2-8H,1H3,(H,15,16).
What are the key properties of 4-methyl-3-pyridin-2-yloxybenzoic acid?
4-methyl-3-pyridin-2-yloxybenzoic acid has a molecular weight of 229.23 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyridin-2-yloxybenzoic acid is sourced from PubChem (CID 55031137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).