3-[(2-chloro-3-pyridinyl)oxy]benzoic acid

C12H8ClNO3 — CID 71564649

IUPAC3-[(2-chloro-3-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1cccc(Oc2cccnc2Cl)c1
InChIInChI=1S/C12H8ClNO3/c13-11-10(5-2-6-14-11)17-9-4-1-3-8(7-9)12(15)16/h1-7H,(H,15,16)
InChIKeyHCCWKKKMMDEVNQ-UHFFFAOYSA-N
MW249.65 g/mol
LogP3.23
Rot. Bonds3

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

3-[(2-chloro-3-pyridinyl)oxy]benzoic acid (PubChem CID 71564649) has the molecular formula C12H8ClNO3 and a molecular weight of 249.65 g/mol. Its IUPAC name is 3-[(2-chloro-3-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name3-[(2-chloro-3-pyridinyl)oxy]benzoic acid
PubChem CID71564649
Molecular FormulaC12H8ClNO3
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name3-[(2-chloro-3-pyridinyl)oxy]benzoic acid
SMILESO=C(O)c1cccc(Oc2cccnc2Cl)c1
InChIInChI=1S/C12H8ClNO3/c13-11-10(5-2-6-14-11)17-9-4-1-3-8(7-9)12(15)16/h1-7H,(H,15,16)
InChIKeyHCCWKKKMMDEVNQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloropyrimidin-4-yl)oxybenzoic acid
CID 28875473
3-(7-chloroquinolin-4-yl)oxybenzoic acid
CID 61395609
3-[2-chloro-3-(trifluoromethyl)phenoxy]benzoic acid
CID 71326930
3-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 55138995
3-(1,3-benzodioxol-4-yloxy)benzoic acid
CID 57291744
3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid
CID 19389250
3-chloro-4-quinolin-7-yloxybenzoic acid
CID 107314076
3-[(2-chloro-3-pyridinyl)amino]benzoic acid
CID 71564651
3-(2-cyano-3-fluorophenoxy)benzoic acid
CID 63943454
(2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone
CID 139998072
(3-phenoxy-2-pyridinyl)-phenylmethanone
CID 173425503
3-[[1-methyl-6-[(2-methyl-3-pyridinyl)oxy]benzimidazol-2-yl]methoxy]benzoic acid
CID 162643736

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3-pyridinyl)oxy]benzoic acid?
The IUPAC name of 3-[(2-chloro-3-pyridinyl)oxy]benzoic acid (CID 71564649) is 3-[(2-chloro-3-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 3-[(2-chloro-3-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 3-[(2-chloro-3-pyridinyl)oxy]benzoic acid is O=C(O)c1cccc(Oc2cccnc2Cl)c1.
What is the InChIKey of 3-[(2-chloro-3-pyridinyl)oxy]benzoic acid?
The InChIKey is HCCWKKKMMDEVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3/c13-11-10(5-2-6-14-11)17-9-4-1-3-8(7-9)12(15)16/h1-7H,(H,15,16).
What are the key properties of 3-[(2-chloro-3-pyridinyl)oxy]benzoic acid?
3-[(2-chloro-3-pyridinyl)oxy]benzoic 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-[(2-chloro-3-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 71564649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).