3-(3-(2-(Benzyloxy)-5-chlorophenyl)pyridin-4-yl)benzoic acid

C25H18ClNO3 — CID 11464169

IUPAC3-[3-(5-chloro-2-phenylmethoxyphenyl)-4-pyridinyl]benzoic acid
SMILESC1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C3=C(C=CN=C3)C4=CC(=CC=C4)C(=O)O
InChIInChI=1S/C25H18ClNO3/c26-20-9-10-24(30-16-17-5-2-1-3-6-17)22(14-20)23-15-27-12-11-21(23)18-7-4-8-19(13-18)25(28)29/h1-15H,16H2,(H,28,29)
InChIKeyWSTSJUHYFOKDQM-UHFFFAOYSA-N
MW415.90 g/mol
LogP5.70
Rot. Bonds6

About 3-(3-(2-(Benzyloxy)-5-chlorophenyl)pyridin-4-yl)benzoic acid

3-(3-(2-(Benzyloxy)-5-chlorophenyl)pyridin-4-yl)benzoic acid (PubChem CID 11464169) has the molecular formula C25H18ClNO3 and a molecular weight of 415.90 g/mol. Its IUPAC name is 3-[3-(5-chloro-2-phenylmethoxyphenyl)-4-pyridinyl]benzoic acid.

Molecular Properties

Compound Name3-(3-(2-(Benzyloxy)-5-chlorophenyl)pyridin-4-yl)benzoic acid
PubChem CID11464169
Molecular FormulaC25H18ClNO3
Molecular Weight415.90 g/mol
Exact Mass415.10
IUPAC Name3-[3-(5-chloro-2-phenylmethoxyphenyl)-4-pyridinyl]benzoic acid
SMILESC1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C3=C(C=CN=C3)C4=CC(=CC=C4)C(=O)O
InChIInChI=1S/C25H18ClNO3/c26-20-9-10-24(30-16-17-5-2-1-3-6-17)22(14-20)23-15-27-12-11-21(23)18-7-4-8-19(13-18)25(28)29/h1-15H,16H2,(H,28,29)
InChIKeyWSTSJUHYFOKDQM-UHFFFAOYSA-N
XLogP5.70
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity553

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.90
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-(2-(Benzyloxy)-5-chlorophenyl)pyridin-4-yl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-(2-(benzyloxy)-5-chlorophenyl)-1H-pyrrol-1-yl)benzoic acid
CID 11211840
6-[2-(5-Chloro-2-phenylmethoxyphenyl)phenyl]pyridine-2-carboxylic acid
CID 10454544
3-(3-(2-(Benzyloxy)-5-chlorophenyl)pyridin-2-yl)benzoic acid
CID 11235389
3-(4-((R)-3-(4-chloro-2-(pyridin-2-yl)phenoxy)butoxy)-2-methylphenyl)propanoic acid
CID 11247654
3-[4-(5-Chloro-2-phenylmethoxyphenyl)-3-pyridinyl]benzoic acid
CID 11350546
3-{3-[2-(Benzyloxy)-5-chloro-phenyl]-pyrazin-2-yl}-benzoic Acid
CID 11429983
6-({5-Chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-2-pyridinecarboxylic acid
CID 11559437
Sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-3-carboxylate
CID 23684396
11-(2-Pyridin-3-yl-ethylidene)-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid
CID 44209424
5-(2-(2-(4-Fluorobenzyloxy)-5-chlorophenyl)cyclopent-1-enyl)-2-methylnicotinic acid
CID 44430775
1-[(5-Chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrrole-3-carboxylic acid
CID 44455299
3-[2-(5-Chloro-2-phenylmethoxyphenyl)-3-pyridinyl]benzoic acid
CID 44410931

Frequently Asked Questions

What is the IUPAC name of 3-(3-(2-(Benzyloxy)-5-chlorophenyl)pyridin-4-yl)benzoic acid?
The IUPAC name of 3-(3-(2-(Benzyloxy)-5-chlorophenyl)pyridin-4-yl)benzoic acid (CID 11464169) is 3-[3-(5-chloro-2-phenylmethoxyphenyl)-4-pyridinyl]benzoic acid.
What is the SMILES notation for 3-(3-(2-(Benzyloxy)-5-chlorophenyl)pyridin-4-yl)benzoic acid?
The canonical SMILES for 3-(3-(2-(Benzyloxy)-5-chlorophenyl)pyridin-4-yl)benzoic acid is C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C3=C(C=CN=C3)C4=CC(=CC=C4)C(=O)O.
What is the InChIKey of 3-(3-(2-(Benzyloxy)-5-chlorophenyl)pyridin-4-yl)benzoic acid?
The InChIKey is WSTSJUHYFOKDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO3/c26-20-9-10-24(30-16-17-5-2-1-3-6-17)22(14-20)23-15-27-12-11-21(23)18-7-4-8-19(13-18)25(28)29/h1-15H,16H2,(H,28,29).
What are the key properties of 3-(3-(2-(Benzyloxy)-5-chlorophenyl)pyridin-4-yl)benzoic acid?
3-(3-(2-(Benzyloxy)-5-chlorophenyl)pyridin-4-yl)benzoic acid has a molecular weight of 415.90 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-(2-(Benzyloxy)-5-chlorophenyl)pyridin-4-yl)benzoic acid is sourced from PubChem (CID 11464169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).