3-chloro-2-[(2-methyl-3-pyridinyl)oxymethyl]benzoic acid

C14H12ClNO3 — CID 144784504

IUPAC3-chloro-2-[(2-methyl-3-pyridinyl)oxymethyl]benzoic acid
SMILESCc1ncccc1OCc1c(Cl)cccc1C(=O)O
InChIInChI=1S/C14H12ClNO3/c1-9-13(6-3-7-16-9)19-8-11-10(14(17)18)4-2-5-12(11)15/h2-7H,8H2,1H3,(H,17,18)
InChIKeyFVKSVXDCRBHVDX-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.32
Rot. Bonds4

About 3-chloro-2-[(2-methyl-3-pyridinyl)oxymethyl]benzoic acid

3-chloro-2-[(2-methyl-3-pyridinyl)oxymethyl]benzoic acid (PubChem CID 144784504) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 3-chloro-2-[(2-methyl-3-pyridinyl)oxymethyl]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(2-methyl-3-pyridinyl)oxymethyl]benzoic acid
PubChem CID144784504
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name3-chloro-2-[(2-methyl-3-pyridinyl)oxymethyl]benzoic acid
SMILESCc1ncccc1OCc1c(Cl)cccc1C(=O)O
InChIInChI=1S/C14H12ClNO3/c1-9-13(6-3-7-16-9)19-8-11-10(14(17)18)4-2-5-12(11)15/h2-7H,8H2,1H3,(H,17,18)
InChIKeyFVKSVXDCRBHVDX-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

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Related Compounds

2-[(2-methyl-3-pyridinyl)oxymethyl]-3-(trifluoromethoxy)benzoyl chloride
CID 144784380
3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 115955910
2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid
CID 115298074
3-bromo-2-[(5-chloro-2,4-dimethylphenoxy)methyl]benzoic acid
CID 121367474
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid
CID 82826328
2-[2-[(2,6-dichlorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20989348
5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 43379989
2-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62698186
2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
CID 15529741
3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 161236656
2-[(2-amino-6-chlorophenyl)methoxy]benzamide
CID 63745089

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-methyl-3-pyridinyl)oxymethyl]benzoic acid?
The IUPAC name of 3-chloro-2-[(2-methyl-3-pyridinyl)oxymethyl]benzoic acid (CID 144784504) is 3-chloro-2-[(2-methyl-3-pyridinyl)oxymethyl]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(2-methyl-3-pyridinyl)oxymethyl]benzoic acid?
The canonical SMILES for 3-chloro-2-[(2-methyl-3-pyridinyl)oxymethyl]benzoic acid is Cc1ncccc1OCc1c(Cl)cccc1C(=O)O.
What is the InChIKey of 3-chloro-2-[(2-methyl-3-pyridinyl)oxymethyl]benzoic acid?
The InChIKey is FVKSVXDCRBHVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-9-13(6-3-7-16-9)19-8-11-10(14(17)18)4-2-5-12(11)15/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 3-chloro-2-[(2-methyl-3-pyridinyl)oxymethyl]benzoic acid?
3-chloro-2-[(2-methyl-3-pyridinyl)oxymethyl]benzoic 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-chloro-2-[(2-methyl-3-pyridinyl)oxymethyl]benzoic acid is sourced from PubChem (CID 144784504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).