3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid

C13H10ClNO3 — CID 114288885

IUPAC3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid
SMILESCc1cc(Cl)ccc1Oc1cnccc1C(=O)O
InChIInChI=1S/C13H10ClNO3/c1-8-6-9(14)2-3-11(8)18-12-7-15-5-4-10(12)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyRJEKUTBBPNMZBQ-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.53
Rot. Bonds3

About 3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid

3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid (PubChem CID 114288885) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid
PubChem CID114288885
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid
SMILESCc1cc(Cl)ccc1Oc1cnccc1C(=O)O
InChIInChI=1S/C13H10ClNO3/c1-8-6-9(14)2-3-11(8)18-12-7-15-5-4-10(12)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyRJEKUTBBPNMZBQ-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-(4-chlorophenoxy)pyridine-4-carboxylic acid
CID 114288873
4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid
CID 43364863
2-[(3-bromo-4-pyridinyl)oxy]-5-chlorobenzoic acid
CID 113452226
3-[2-(2-bromo-4-chlorophenoxy)ethoxy]pyridine-4-carboxylic acid
CID 81438776
3-(2-cyano-4-methylphenoxy)pyridine-4-carboxylic acid
CID 114017513
N-[[3-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075441
3-(6-chloropyrazin-2-yl)oxypyridine-4-carboxylic acid
CID 114335580
4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid
CID 107989750
2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid
CID 106502871
3-(6-methylpyridazin-3-yl)oxypyridine-4-carboxylic acid
CID 81443389
3-(2-bromophenoxy)pyridine-4-carboxylic acid
CID 114288896
3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-4-carboxylic acid
CID 81442469

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid (CID 114288885) is 3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid is Cc1cc(Cl)ccc1Oc1cnccc1C(=O)O.
What is the InChIKey of 3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid?
The InChIKey is RJEKUTBBPNMZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-8-6-9(14)2-3-11(8)18-12-7-15-5-4-10(12)13(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid?
3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic 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-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 114288885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).