2-[3-chloro-5-(2,6-dichlorophenyl)-4-pyridinyl]acetic acid

C13H8Cl3NO2 — CID 133088007

IUPAC2-[3-chloro-5-(2,6-dichlorophenyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(Cl)cncc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H8Cl3NO2/c14-9-2-1-3-10(15)13(9)8-5-17-6-11(16)7(8)4-12(18)19/h1-3,5-6H,4H2,(H,18,19)
InChIKeyCVZVIWOTADXYJP-UHFFFAOYSA-N
MW316.57 g/mol
LogP4.34
Rot. Bonds3

About 2-[3-chloro-5-(2,6-dichlorophenyl)-4-pyridinyl]acetic acid

2-[3-chloro-5-(2,6-dichlorophenyl)-4-pyridinyl]acetic acid (PubChem CID 133088007) has the molecular formula C13H8Cl3NO2 and a molecular weight of 316.57 g/mol. Its IUPAC name is 2-[3-chloro-5-(2,6-dichlorophenyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-5-(2,6-dichlorophenyl)-4-pyridinyl]acetic acid
PubChem CID133088007
Molecular FormulaC13H8Cl3NO2
Molecular Weight316.57 g/mol
Exact Mass314.96
IUPAC Name2-[3-chloro-5-(2,6-dichlorophenyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(Cl)cncc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H8Cl3NO2/c14-9-2-1-3-10(15)13(9)8-5-17-6-11(16)7(8)4-12(18)19/h1-3,5-6H,4H2,(H,18,19)
InChIKeyCVZVIWOTADXYJP-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-5-(2,6-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-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid
CID 134622761
2-[3,5-bis(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134635869
2-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088557
2-[3-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]acetic acid
CID 134627185
2-(2-bromo-6-chlorophenyl)acetic acid
CID 53446365
2-[5-chloro-2-(2,6-dichlorophenyl)-3-pyridinyl]acetic acid
CID 133088005
2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid
CID 134630533
2-(3-fluoro-5-phenyl-4-pyridinyl)acetic acid
CID 131870069
2-[6-(2,6-dichlorophenyl)-2-fluoro-3-pyridinyl]acetic acid
CID 133091022
2-[2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118841766
2-[4-(2,6-dichlorophenyl)-6-hydroxy-1H-indol-3-yl]acetic acid
CID 118835567
5-chloro-4-[[[2-(2,6-dichlorophenyl)phenyl]methylideneamino]methyl]pyridin-3-ol
CID 149334997

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(2,6-dichlorophenyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[3-chloro-5-(2,6-dichlorophenyl)-4-pyridinyl]acetic acid (CID 133088007) is 2-[3-chloro-5-(2,6-dichlorophenyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-chloro-5-(2,6-dichlorophenyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-chloro-5-(2,6-dichlorophenyl)-4-pyridinyl]acetic acid is O=C(O)Cc1c(Cl)cncc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[3-chloro-5-(2,6-dichlorophenyl)-4-pyridinyl]acetic acid?
The InChIKey is CVZVIWOTADXYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO2/c14-9-2-1-3-10(15)13(9)8-5-17-6-11(16)7(8)4-12(18)19/h1-3,5-6H,4H2,(H,18,19).
What are the key properties of 2-[3-chloro-5-(2,6-dichlorophenyl)-4-pyridinyl]acetic acid?
2-[3-chloro-5-(2,6-dichlorophenyl)-4-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-5-(2,6-dichlorophenyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 133088007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).