2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid

C13H9Cl2NO2 — CID 118836281

IUPAC2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccnc(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H9Cl2NO2/c14-9-1-2-10(11(15)7-9)12-5-8(3-4-16-12)6-13(17)18/h1-5,7H,6H2,(H,17,18)
InChIKeyMYMXMQPJWGXAJQ-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.68
Rot. Bonds3

About 2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid

2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid (PubChem CID 118836281) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
PubChem CID118836281
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccnc(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H9Cl2NO2/c14-9-1-2-10(11(15)7-9)12-5-8(3-4-16-12)6-13(17)18/h1-5,7H,6H2,(H,17,18)
InChIKeyMYMXMQPJWGXAJQ-UHFFFAOYSA-N
XLogP3.68
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(2,4-dichlorophenyl)-4-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-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133087191
2-[3-chloro-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133088248
2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid
CID 118853015
5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid
CID 133088231
2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 103201086
2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 133093077
3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid
CID 82452786
2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid
CID 118836144
2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid
CID 118824898
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
2-chloro-4-(2,4-dichlorophenyl)pyrimidine
CID 11086481
2-[3-[(2,4-dichlorophenoxy)methyl]phenyl]acetic acid
CID 155146115

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid (CID 118836281) is 2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid is O=C(O)Cc1ccnc(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid?
The InChIKey is MYMXMQPJWGXAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-9-1-2-10(11(15)7-9)12-5-8(3-4-16-12)6-13(17)18/h1-5,7H,6H2,(H,17,18).
What are the key properties of 2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid?
2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid has a molecular weight of 282.13 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 118836281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).