3-chloro-4-pyridin-2-yloxybenzoic acid

C12H8ClNO3 — CID 59625693

IUPAC3-chloro-4-pyridin-2-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccccn2)c(Cl)c1
InChIInChI=1S/C12H8ClNO3/c13-9-7-8(12(15)16)4-5-10(9)17-11-3-1-2-6-14-11/h1-7H,(H,15,16)
InChIKeyAZSXOPQEDPYWMI-UHFFFAOYSA-N
MW249.65 g/mol
LogP3.23
Rot. Bonds3

About 3-chloro-4-pyridin-2-yloxybenzoic acid

3-chloro-4-pyridin-2-yloxybenzoic acid (PubChem CID 59625693) has the molecular formula C12H8ClNO3 and a molecular weight of 249.65 g/mol. Its IUPAC name is 3-chloro-4-pyridin-2-yloxybenzoic acid.

Molecular Properties

Compound Name3-chloro-4-pyridin-2-yloxybenzoic acid
PubChem CID59625693
Molecular FormulaC12H8ClNO3
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name3-chloro-4-pyridin-2-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccccn2)c(Cl)c1
InChIInChI=1S/C12H8ClNO3/c13-9-7-8(12(15)16)4-5-10(9)17-11-3-1-2-6-14-11/h1-7H,(H,15,16)
InChIKeyAZSXOPQEDPYWMI-UHFFFAOYSA-N
XLogP3.23
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-pyridin-2-yloxybenzoic acid
CID 55031137
2-(2-chloro-4-phenylphenoxy)pyridine
CID 141486105
3-chloro-4-[(3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 62733254
4-[(3-bromo-2-pyridinyl)oxy]-3-chlorobenzoic acid
CID 61396283
3-chloro-4-quinolin-7-yloxybenzoic acid
CID 107314076
3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride
CID 54593353
3-chloro-4-(2-ethoxyphenoxy)benzoic acid
CID 63089145
3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
(4-chlorophenyl)-(2-pyridin-2-yloxyphenyl)methanone
CID 132518040
3-chloro-4-(2,5-dichlorophenoxy)benzoic acid
CID 63513310
3-chloro-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585684

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-pyridin-2-yloxybenzoic acid?
The IUPAC name of 3-chloro-4-pyridin-2-yloxybenzoic acid (CID 59625693) is 3-chloro-4-pyridin-2-yloxybenzoic acid.
What is the SMILES notation for 3-chloro-4-pyridin-2-yloxybenzoic acid?
The canonical SMILES for 3-chloro-4-pyridin-2-yloxybenzoic acid is O=C(O)c1ccc(Oc2ccccn2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-pyridin-2-yloxybenzoic acid?
The InChIKey is AZSXOPQEDPYWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3/c13-9-7-8(12(15)16)4-5-10(9)17-11-3-1-2-6-14-11/h1-7H,(H,15,16).
What are the key properties of 3-chloro-4-pyridin-2-yloxybenzoic acid?
3-chloro-4-pyridin-2-yloxybenzoic acid has a molecular weight of 249.65 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-pyridin-2-yloxybenzoic acid is sourced from PubChem (CID 59625693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).