4-[5-(3-chlorophenoxy)-3-pyridinyl]-2-hydroxybenzoic acid

C18H12ClNO4 — CID 164853822

IUPAC4-[5-(3-chlorophenoxy)-3-pyridinyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2cncc(Oc3cccc(Cl)c3)c2)cc1O
InChIInChI=1S/C18H12ClNO4/c19-13-2-1-3-14(8-13)24-15-6-12(9-20-10-15)11-4-5-16(18(22)23)17(21)7-11/h1-10,21H,(H,22,23)
InChIKeyIBJXBXCXJJSLMS-UHFFFAOYSA-N
MW341.75 g/mol
LogP4.60
Rot. Bonds4

About 4-[5-(3-chlorophenoxy)-3-pyridinyl]-2-hydroxybenzoic acid

4-[5-(3-chlorophenoxy)-3-pyridinyl]-2-hydroxybenzoic acid (PubChem CID 164853822) has the molecular formula C18H12ClNO4 and a molecular weight of 341.75 g/mol. Its IUPAC name is 4-[5-(3-chlorophenoxy)-3-pyridinyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[5-(3-chlorophenoxy)-3-pyridinyl]-2-hydroxybenzoic acid
PubChem CID164853822
Molecular FormulaC18H12ClNO4
Molecular Weight341.75 g/mol
Exact Mass341.05
IUPAC Name4-[5-(3-chlorophenoxy)-3-pyridinyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2cncc(Oc3cccc(Cl)c3)c2)cc1O
InChIInChI=1S/C18H12ClNO4/c19-13-2-1-3-14(8-13)24-15-6-12(9-20-10-15)11-4-5-16(18(22)23)17(21)7-11/h1-10,21H,(H,22,23)
InChIKeyIBJXBXCXJJSLMS-UHFFFAOYSA-N
XLogP4.60
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloropyridin-3-yl 2-naphthoate
CID 16203909
(5-Chloro-3-pyridinyl) 2-acetyloxybenzoate
CID 16204005
[2-[(5-Chloro-3-pyridinyl)oxycarbonyl]-6-methylphenyl] 2-hydroxy-3-methylbenzoate
CID 163391927
4-[5-(4-Tert-butylphenoxy)-3-pyridinyl]-2-hydroxybenzoic acid
CID 164853817
2-Hydroxy-4-[5-(4-methylphenoxy)-3-pyridinyl]benzoic acid
CID 164853819
2-Hydroxy-4-(5-phenoxy-3-pyridinyl)benzoic acid
CID 164853821
4-[5-(4-Chlorophenoxy)-3-pyridinyl]-2-hydroxybenzoic acid
CID 164853827
2-Hydroxy-4-[5-(3-methylphenoxy)-3-pyridinyl]benzoic acid
CID 164853829
Benzoic acid, 2-(3-pyridinyloxy)-
CID 43144907
(5-Chloro-3-pyridinyl) 4-phenylbenzoate
CID 16202857
(5-Chloro-3-pyridinyl) 2-methoxybenzoate
CID 16202861
(5-Chloro-3-pyridinyl) 4-methylbenzoate
CID 16204012

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chlorophenoxy)-3-pyridinyl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[5-(3-chlorophenoxy)-3-pyridinyl]-2-hydroxybenzoic acid (CID 164853822) is 4-[5-(3-chlorophenoxy)-3-pyridinyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[5-(3-chlorophenoxy)-3-pyridinyl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[5-(3-chlorophenoxy)-3-pyridinyl]-2-hydroxybenzoic acid is O=C(O)c1ccc(-c2cncc(Oc3cccc(Cl)c3)c2)cc1O.
What is the InChIKey of 4-[5-(3-chlorophenoxy)-3-pyridinyl]-2-hydroxybenzoic acid?
The InChIKey is IBJXBXCXJJSLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO4/c19-13-2-1-3-14(8-13)24-15-6-12(9-20-10-15)11-4-5-16(18(22)23)17(21)7-11/h1-10,21H,(H,22,23).
What are the key properties of 4-[5-(3-chlorophenoxy)-3-pyridinyl]-2-hydroxybenzoic acid?
4-[5-(3-chlorophenoxy)-3-pyridinyl]-2-hydroxybenzoic acid has a molecular weight of 341.75 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chlorophenoxy)-3-pyridinyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 164853822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).