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

C13H8Cl3NO2 — CID 133088557

IUPAC2-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(Cl)cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H8Cl3NO2/c14-7-4-8(11(17-6-7)5-12(18)19)13-9(15)2-1-3-10(13)16/h1-4,6H,5H2,(H,18,19)
InChIKeyCJLMLVKMWFTJAI-UHFFFAOYSA-N
MW316.57 g/mol
LogP4.34
Rot. Bonds3

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

2-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid (PubChem CID 133088557) has the molecular formula C13H8Cl3NO2 and a molecular weight of 316.57 g/mol. Its IUPAC name is 2-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid
PubChem CID133088557
Molecular FormulaC13H8Cl3NO2
Molecular Weight316.57 g/mol
Exact Mass314.96
IUPAC Name2-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(Cl)cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H8Cl3NO2/c14-7-4-8(11(17-6-7)5-12(18)19)13-9(15)2-1-3-10(13)16/h1-4,6H,5H2,(H,18,19)
InChIKeyCJLMLVKMWFTJAI-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-2-(2,6-dichlorophenyl)-3-pyridinyl]acetic acid
CID 133088005
2-(3-amino-5-chloro-2-pyridinyl)acetic acid
CID 55252749
2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134629724
2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid
CID 134630533
2-(3,5-dichloro-2-pyridinyl)acetic acid;1-(3,5-dichloro-2-pyridinyl)propan-2-one
CID 165067563
2-[3-chloro-5-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088297
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-(2,3-dichlorophenyl)-3-nitro-2-pyridinyl]acetic acid
CID 133087430
2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid
CID 84670284
2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 133093077
2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride
CID 68723222

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid (CID 133088557) is 2-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid is O=C(O)Cc1ncc(Cl)cc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid?
The InChIKey is CJLMLVKMWFTJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO2/c14-7-4-8(11(17-6-7)5-12(18)19)13-9(15)2-1-3-10(13)16/h1-4,6H,5H2,(H,18,19).
What are the key properties of 2-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid?
2-[5-chloro-3-(2,6-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-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 133088557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).