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

C13H8Cl3NO2 — CID 133088005

IUPAC2-[5-chloro-2-(2,6-dichlorophenyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)cnc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H8Cl3NO2/c14-8-4-7(5-11(18)19)13(17-6-8)12-9(15)2-1-3-10(12)16/h1-4,6H,5H2,(H,18,19)
InChIKeyWUGYOZGWWJYQIJ-UHFFFAOYSA-N
MW316.57 g/mol
LogP4.34
Rot. Bonds3

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

2-[5-chloro-2-(2,6-dichlorophenyl)-3-pyridinyl]acetic acid (PubChem CID 133088005) has the molecular formula C13H8Cl3NO2 and a molecular weight of 316.57 g/mol. Its IUPAC name is 2-[5-chloro-2-(2,6-dichlorophenyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-2-(2,6-dichlorophenyl)-3-pyridinyl]acetic acid
PubChem CID133088005
Molecular FormulaC13H8Cl3NO2
Molecular Weight316.57 g/mol
Exact Mass314.96
IUPAC Name2-[5-chloro-2-(2,6-dichlorophenyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)cnc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H8Cl3NO2/c14-8-4-7(5-11(18)19)13(17-6-8)12-9(15)2-1-3-10(12)16/h1-4,6H,5H2,(H,18,19)
InChIKeyWUGYOZGWWJYQIJ-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-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088557
2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid
CID 131869717
2-[2-(2,4,6-trichlorophenyl)-3-pyridinyl]acetic acid
CID 118807954
[5-amino-2-(2,6-dichlorophenyl)-3-pyridinyl]methanol
CID 133087406
2-[2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118841766
2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118819248
2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398001
2-(3-amino-5-chloro-2-pyridinyl)acetic acid
CID 55252749
2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid
CID 134630533
2-[3-chloro-5-(2,6-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133088007
2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid
CID 134622761
2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134636998

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2,6-dichlorophenyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-chloro-2-(2,6-dichlorophenyl)-3-pyridinyl]acetic acid (CID 133088005) is 2-[5-chloro-2-(2,6-dichlorophenyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-2-(2,6-dichlorophenyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-chloro-2-(2,6-dichlorophenyl)-3-pyridinyl]acetic acid is O=C(O)Cc1cc(Cl)cnc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[5-chloro-2-(2,6-dichlorophenyl)-3-pyridinyl]acetic acid?
The InChIKey is WUGYOZGWWJYQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO2/c14-8-4-7(5-11(18)19)13(17-6-8)12-9(15)2-1-3-10(12)16/h1-4,6H,5H2,(H,18,19).
What are the key properties of 2-[5-chloro-2-(2,6-dichlorophenyl)-3-pyridinyl]acetic acid?
2-[5-chloro-2-(2,6-dichlorophenyl)-3-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-(2,6-dichlorophenyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 133088005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).