3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid

C14H12ClNO3 — CID 82826328

IUPAC3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid
SMILESCc1c(OCc2ccncc2Cl)cccc1C(=O)O
InChIInChI=1S/C14H12ClNO3/c1-9-11(14(17)18)3-2-4-13(9)19-8-10-5-6-16-7-12(10)15/h2-7H,8H2,1H3,(H,17,18)
InChIKeyIXCOWWDJMSVJTL-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.32
Rot. Bonds4

About 3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid

3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid (PubChem CID 82826328) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid
PubChem CID82826328
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid
SMILESCc1c(OCc2ccncc2Cl)cccc1C(=O)O
InChIInChI=1S/C14H12ClNO3/c1-9-11(14(17)18)3-2-4-13(9)19-8-10-5-6-16-7-12(10)15/h2-7H,8H2,1H3,(H,17,18)
InChIKeyIXCOWWDJMSVJTL-UHFFFAOYSA-N
XLogP3.32
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic 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

2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid
CID 113276788
3-[(2-chloro-4-cyanophenyl)methoxy]-2-methylbenzoic acid
CID 102663377
2-[(3-chloro-4-pyridinyl)methoxy]-6-nitrobenzoic acid
CID 107341394
4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid
CID 81227840
3-[(4-chloro-2-fluorophenyl)methoxy]-2-methylbenzoic acid
CID 114847687
3-[(4-formyl-3-pyridinyl)oxymethyl]-2-methylbenzoic acid
CID 146401809
methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate
CID 107341776
4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid
CID 117212644
N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 114319172
2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
CID 115533419
ethyl 4-amino-2-[(3-chloro-4-pyridinyl)methoxy]benzoate
CID 106955381
3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid
CID 17058986

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid?
The IUPAC name of 3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid (CID 82826328) is 3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid.
What is the SMILES notation for 3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid?
The canonical SMILES for 3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid is Cc1c(OCc2ccncc2Cl)cccc1C(=O)O.
What is the InChIKey of 3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid?
The InChIKey is IXCOWWDJMSVJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-9-11(14(17)18)3-2-4-13(9)19-8-10-5-6-16-7-12(10)15/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid?
3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid has a molecular weight of 277.71 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid is sourced from PubChem (CID 82826328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).