3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid

C12H6Cl3NO2 — CID 133087953

IUPAC3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2c(Cl)cccc2Cl)c1Cl
InChIInChI=1S/C12H6Cl3NO2/c13-7-2-1-3-8(14)9(7)11-10(15)6(12(17)18)4-5-16-11/h1-5H,(H,17,18)
InChIKeyBUOCLJSXKUFGHI-UHFFFAOYSA-N
MW302.54 g/mol
LogP4.41
Rot. Bonds2

About 3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid

3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid (PubChem CID 133087953) has the molecular formula C12H6Cl3NO2 and a molecular weight of 302.54 g/mol. Its IUPAC name is 3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid
PubChem CID133087953
Molecular FormulaC12H6Cl3NO2
Molecular Weight302.54 g/mol
Exact Mass300.95
IUPAC Name3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2c(Cl)cccc2Cl)c1Cl
InChIInChI=1S/C12H6Cl3NO2/c13-7-2-1-3-8(14)9(7)11-10(15)6(12(17)18)4-5-16-11/h1-5H,(H,17,18)
InChIKeyBUOCLJSXKUFGHI-UHFFFAOYSA-N
XLogP4.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid
CID 134637312
2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid
CID 170837701
4-(2,6-dichlorophenyl)pyrimidine-5-carboxylic acid
CID 118852442
3-chloropyridine-2,4-dicarboxylic acid
CID 134247663
lithium;2,3-dichloropyridine-4-carboxylic acid;hydride
CID 174387872
2-(2,6-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid
CID 118836187
2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
CID 68944876
2-(2-chlorophenyl)pyridine-3-carboxylic acid
CID 52983918
3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid
CID 107063696
2-(azepan-1-yl)-3-chloropyridine-4-carboxylic acid
CID 107062188
2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)pyridine-4-carboxylic acid
CID 133089976
2-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118853209

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid (CID 133087953) is 3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2c(Cl)cccc2Cl)c1Cl.
What is the InChIKey of 3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid?
The InChIKey is BUOCLJSXKUFGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3NO2/c13-7-2-1-3-8(14)9(7)11-10(15)6(12(17)18)4-5-16-11/h1-5H,(H,17,18).
What are the key properties of 3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid?
3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid has a molecular weight of 302.54 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 133087953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).