3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid

C24H17ClN2O3 — CID 11429983

IUPAC3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2nccnc2-c2cc(Cl)ccc2OCc2ccccc2)c1
InChIInChI=1S/C24H17ClN2O3/c25-19-9-10-21(30-15-16-5-2-1-3-6-16)20(14-19)23-22(26-11-12-27-23)17-7-4-8-18(13-17)24(28)29/h1-14H,15H2,(H,28,29)
InChIKeyLEKGNTCKYBKOGI-UHFFFAOYSA-N
MW416.86 g/mol
LogP5.74
Rot. Bonds6

About 3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid

3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid (PubChem CID 11429983) has the molecular formula C24H17ClN2O3 and a molecular weight of 416.86 g/mol. Its IUPAC name is 3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid
PubChem CID11429983
Molecular FormulaC24H17ClN2O3
Molecular Weight416.86 g/mol
Exact Mass416.09
IUPAC Name3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2nccnc2-c2cc(Cl)ccc2OCc2ccccc2)c1
InChIInChI=1S/C24H17ClN2O3/c25-19-9-10-21(30-15-16-5-2-1-3-6-16)20(14-19)23-22(26-11-12-27-23)17-7-4-8-18(13-17)24(28)29/h1-14H,15H2,(H,28,29)
InChIKeyLEKGNTCKYBKOGI-UHFFFAOYSA-N
XLogP5.74
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.86
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-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-[3-(5-chloro-2-phenylmethoxyphenyl)-5-oxo-2H-furan-4-yl]benzoic acid
CID 11154379
3-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylphenyl]benzoate
CID 91900458
3-[[4-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]benzoic acid
CID 142249318
sodium 3-[2-(5-chloro-2-phenylmethoxyphenyl)-6-methylphenyl]benzoate
CID 23677039
4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid
CID 138543159
3-(5-chloro-3-nitro-2-phenylmethoxyphenyl)benzoic acid;ethane
CID 144892144
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
3-(3-amino-2-phenylmethoxyphenyl)benzoic acid
CID 141486571
4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid
CID 53228674
3-[[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]methyl]benzoic acid
CID 90751599
5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine-3-carboxylate
CID 18718074
2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine
CID 70971545

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid?
The IUPAC name of 3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid (CID 11429983) is 3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid.
What is the SMILES notation for 3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid?
The canonical SMILES for 3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid is O=C(O)c1cccc(-c2nccnc2-c2cc(Cl)ccc2OCc2ccccc2)c1.
What is the InChIKey of 3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid?
The InChIKey is LEKGNTCKYBKOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O3/c25-19-9-10-21(30-15-16-5-2-1-3-6-16)20(14-19)23-22(26-11-12-27-23)17-7-4-8-18(13-17)24(28)29/h1-14H,15H2,(H,28,29).
What are the key properties of 3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid?
3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid has a molecular weight of 416.86 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid is sourced from PubChem (CID 11429983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).