3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid

C13H10ClNO3 — CID 105405869

IUPAC3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1Oc1cncc(Cl)c1
InChIInChI=1S/C13H10ClNO3/c1-8-2-3-9(13(16)17)4-12(8)18-11-5-10(14)6-15-7-11/h2-7H,1H3,(H,16,17)
InChIKeyZBMLAMGBTCIJNN-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.53
Rot. Bonds3

About 3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid

3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid (PubChem CID 105405869) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid
PubChem CID105405869
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1Oc1cncc(Cl)c1
InChIInChI=1S/C13H10ClNO3/c1-8-2-3-9(13(16)17)4-12(8)18-11-5-10(14)6-15-7-11/h2-7H,1H3,(H,16,17)
InChIKeyZBMLAMGBTCIJNN-UHFFFAOYSA-N
XLogP3.53
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloro-3-pyridinyl)oxy]-4-nitrobenzoic acid
CID 82781472
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde
CID 105405596
3-(4-chloro-2,6-dimethylphenoxy)-4-methylbenzoic acid
CID 105405731
2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid
CID 113378263
1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone
CID 64600412
3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid
CID 61396298
3-(5-fluoropyrimidin-2-yl)oxy-4-methylbenzoic acid
CID 113432161
4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid
CID 83063808
2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid
CID 21078394
3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide
CID 83000242
4-(2,5-dimethylphenoxy)benzoic acid
CID 22684928
4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde
CID 64601191

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid?
The IUPAC name of 3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid (CID 105405869) is 3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid?
The canonical SMILES for 3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1Oc1cncc(Cl)c1.
What is the InChIKey of 3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid?
The InChIKey is ZBMLAMGBTCIJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-8-2-3-9(13(16)17)4-12(8)18-11-5-10(14)6-15-7-11/h2-7H,1H3,(H,16,17).
What are the key properties of 3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid?
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid has a molecular weight of 263.68 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid is sourced from PubChem (CID 105405869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).