2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid

C13H8Cl3NO2 — CID 133088320

IUPAC2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(-c2cc(Cl)ccc2Cl)ccc1Cl
InChIInChI=1S/C13H8Cl3NO2/c14-7-1-2-9(15)8(5-7)11-4-3-10(16)12(17-11)6-13(18)19/h1-5H,6H2,(H,18,19)
InChIKeyZRVFFDSQHNINJB-UHFFFAOYSA-N
MW316.57 g/mol
LogP4.34
Rot. Bonds3

About 2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid

2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid (PubChem CID 133088320) has the molecular formula C13H8Cl3NO2 and a molecular weight of 316.57 g/mol. Its IUPAC name is 2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
PubChem CID133088320
Molecular FormulaC13H8Cl3NO2
Molecular Weight316.57 g/mol
Exact Mass314.96
IUPAC Name2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(-c2cc(Cl)ccc2Cl)ccc1Cl
InChIInChI=1S/C13H8Cl3NO2/c14-7-1-2-9(15)8(5-7)11-4-3-10(16)12(17-11)6-13(18)19/h1-5H,6H2,(H,18,19)
InChIKeyZRVFFDSQHNINJB-UHFFFAOYSA-N
XLogP4.34
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.57
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic 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

2-[3-chloro-5-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088297
2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid
CID 118836144
2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid
CID 133090909
2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid
CID 176516194
[6-(2,5-dichlorophenyl)-2-methyl-3-pyridinyl]methanol
CID 82452812
2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 133094570
methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate
CID 133090667
3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid
CID 82452786
2-[6-(2,4-dichlorophenyl)-3,5-difluoro-2-pyridinyl]acetic acid
CID 133091115
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 133093077
2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid
CID 118841905

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid (CID 133088320) is 2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid is O=C(O)Cc1nc(-c2cc(Cl)ccc2Cl)ccc1Cl.
What is the InChIKey of 2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid?
The InChIKey is ZRVFFDSQHNINJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO2/c14-7-1-2-9(15)8(5-7)11-4-3-10(16)12(17-11)6-13(18)19/h1-5H,6H2,(H,18,19).
What are the key properties of 2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid?
2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid has a molecular weight of 316.57 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 133088320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).