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

C13H8Cl3NO2 — CID 133088475

IUPAC2-[5-chloro-2-(3,4-dichlorophenyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccc(Cl)c(Cl)c2)ncc1Cl
InChIInChI=1S/C13H8Cl3NO2/c14-9-2-1-7(3-10(9)15)12-4-8(5-13(18)19)11(16)6-17-12/h1-4,6H,5H2,(H,18,19)
InChIKeyZDRQJNUQBVMXRD-UHFFFAOYSA-N
MW316.57 g/mol
LogP4.34
Rot. Bonds3

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

2-[5-chloro-2-(3,4-dichlorophenyl)-4-pyridinyl]acetic acid (PubChem CID 133088475) has the molecular formula C13H8Cl3NO2 and a molecular weight of 316.57 g/mol. Its IUPAC name is 2-[5-chloro-2-(3,4-dichlorophenyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-2-(3,4-dichlorophenyl)-4-pyridinyl]acetic acid
PubChem CID133088475
Molecular FormulaC13H8Cl3NO2
Molecular Weight316.57 g/mol
Exact Mass314.96
IUPAC Name2-[5-chloro-2-(3,4-dichlorophenyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccc(Cl)c(Cl)c2)ncc1Cl
InChIInChI=1S/C13H8Cl3NO2/c14-9-2-1-7(3-10(9)15)12-4-8(5-13(18)19)11(16)6-17-12/h1-4,6H,5H2,(H,18,19)
InChIKeyZDRQJNUQBVMXRD-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

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Related Compounds

2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133087087
2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130095692
2-chloro-5-(3,4-dichlorophenyl)pyrazine
CID 12671441
5-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088015
2-(2-chloro-5-pyridin-3-ylphenyl)acetic acid
CID 166638918
2-[3-chloro-5-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088297
2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134636998
5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid
CID 82168579
2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid
CID 118836144
2-[2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 81492328
1-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]azetidine-3-carboxylic acid
CID 59451829
2-[6-(4-chlorophenyl)pyrimidin-4-yl]acetic acid
CID 117000602

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(3,4-dichlorophenyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[5-chloro-2-(3,4-dichlorophenyl)-4-pyridinyl]acetic acid (CID 133088475) is 2-[5-chloro-2-(3,4-dichlorophenyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-2-(3,4-dichlorophenyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-chloro-2-(3,4-dichlorophenyl)-4-pyridinyl]acetic acid is O=C(O)Cc1cc(-c2ccc(Cl)c(Cl)c2)ncc1Cl.
What is the InChIKey of 2-[5-chloro-2-(3,4-dichlorophenyl)-4-pyridinyl]acetic acid?
The InChIKey is ZDRQJNUQBVMXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO2/c14-9-2-1-7(3-10(9)15)12-4-8(5-13(18)19)11(16)6-17-12/h1-4,6H,5H2,(H,18,19).
What are the key properties of 2-[5-chloro-2-(3,4-dichlorophenyl)-4-pyridinyl]acetic acid?
2-[5-chloro-2-(3,4-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-[5-chloro-2-(3,4-dichlorophenyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 133088475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).