2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid

C13H9Cl2NO2 — CID 118824898

IUPAC2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid
SMILESCc1cnc(-c2ccc(Cl)cc2Cl)cc1C(=O)O
InChIInChI=1S/C13H9Cl2NO2/c1-7-6-16-12(5-10(7)13(17)18)9-3-2-8(14)4-11(9)15/h2-6H,1H3,(H,17,18)
InChIKeyYQMOJLJFCGBZEM-UHFFFAOYSA-N
MW282.13 g/mol
LogP4.06
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid

2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid (PubChem CID 118824898) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid
PubChem CID118824898
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid
SMILESCc1cnc(-c2ccc(Cl)cc2Cl)cc1C(=O)O
InChIInChI=1S/C13H9Cl2NO2/c1-7-6-16-12(5-10(7)13(17)18)9-3-2-8(14)4-11(9)15/h2-6H,1H3,(H,17,18)
InChIKeyYQMOJLJFCGBZEM-UHFFFAOYSA-N
XLogP4.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid
CID 133088231
5-(2,4-dichlorophenyl)-2-methylbenzoic acid
CID 65307021
2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid
CID 118836144
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid
CID 133088789
2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid
CID 172914048
[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]methanol
CID 118841793
4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid
CID 174558705
4-(2,4-dichlorophenyl)-3-methylquinoline-6-carboxylic acid
CID 67961044
2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid
CID 118824902
2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid
CID 3286939
4-chloro-2-(4-chloro-2-methylphenyl)benzoic acid
CID 53226756

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid (CID 118824898) is 2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid is Cc1cnc(-c2ccc(Cl)cc2Cl)cc1C(=O)O.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid?
The InChIKey is YQMOJLJFCGBZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c1-7-6-16-12(5-10(7)13(17)18)9-3-2-8(14)4-11(9)15/h2-6H,1H3,(H,17,18).
What are the key properties of 2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid?
2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid has a molecular weight of 282.13 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 118824898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).