2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid

C14H13NO3 — CID 82830521

IUPAC2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid
SMILESCc1ccnc(Oc2cccc(C(=O)O)c2C)c1
InChIInChI=1S/C14H13NO3/c1-9-6-7-15-13(8-9)18-12-5-3-4-11(10(12)2)14(16)17/h3-8H,1-2H3,(H,16,17)
InChIKeyBWEDTLOQAIMEPM-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.19
Rot. Bonds3

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

2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid (PubChem CID 82830521) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid
PubChem CID82830521
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid
SMILESCc1ccnc(Oc2cccc(C(=O)O)c2C)c1
InChIInChI=1S/C14H13NO3/c1-9-6-7-15-13(8-9)18-12-5-3-4-11(10(12)2)14(16)17/h3-8H,1-2H3,(H,16,17)
InChIKeyBWEDTLOQAIMEPM-UHFFFAOYSA-N
XLogP3.19
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-pyrido[2,3-b]pyrazin-6-yloxybenzoic acid
CID 82810748
2,3-dimethylbenzoic acid;2,4-dimethylpyridine
CID 171635910
3-(3,6-dimethylpyrazin-2-yl)oxy-2-methylbenzoic acid
CID 82831120
2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61395798
2-[(4-cyano-2-pyridinyl)oxy]benzoic acid
CID 61395565
4-methyl-2-pyrimidin-2-yloxybenzoic acid
CID 61395843
3-acetyloxy-2-methylbenzoic acid
CID 3798557
N-[4-[(4-methyl-2-pyridinyl)oxy]-1,3-benzothiazol-2-yl]acetamide
CID 143091019
4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid
CID 66436717
2-methyl-3-[4-methyl-2-[3-(4-methylphenyl)prop-2-ynoxy]phenoxy]benzoic acid
CID 23122395
2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 69362108
3-acetyloxy-2-methylbenzoic acid;hydrochloride
CID 172770028

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid?
The IUPAC name of 2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid (CID 82830521) is 2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid is Cc1ccnc(Oc2cccc(C(=O)O)c2C)c1.
What is the InChIKey of 2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid?
The InChIKey is BWEDTLOQAIMEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-9-6-7-15-13(8-9)18-12-5-3-4-11(10(12)2)14(16)17/h3-8H,1-2H3,(H,16,17).
What are the key properties of 2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid?
2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid has a molecular weight of 243.26 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 82830521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).