2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid

C13H9Cl2NO2 — CID 118841905

IUPAC2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H9Cl2NO2/c1-7-4-8(13(17)18)5-12(16-7)10-6-9(14)2-3-11(10)15/h2-6H,1H3,(H,17,18)
InChIKeyHEMVBLNQPHJKLB-UHFFFAOYSA-N
MW282.13 g/mol
LogP4.06
Rot. Bonds2

About 2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid

2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid (PubChem CID 118841905) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid
PubChem CID118841905
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H9Cl2NO2/c1-7-4-8(13(17)18)5-12(16-7)10-6-9(14)2-3-11(10)15/h2-6H,1H3,(H,17,18)
InChIKeyHEMVBLNQPHJKLB-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

methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate
CID 67469548
[4-(2,5-dichlorophenyl)-6-methylpyrimidin-2-yl]hydrazine
CID 82192453
2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid
CID 118836144
2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088320
4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid
CID 53225503
1-[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]ethanone
CID 116895367
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
6-(2,5-dichlorophenyl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 62365907
5-(2,5-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 29274999
4-chloro-3-(5-chloro-2-methoxyphenyl)benzoic acid
CID 53227581
3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
CID 54912392
2-tert-butyl-4-chloro-6-(2,5-dichlorophenyl)pyrimidine
CID 80953036

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid (CID 118841905) is 2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(-c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid?
The InChIKey is HEMVBLNQPHJKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c1-7-4-8(13(17)18)5-12(16-7)10-6-9(14)2-3-11(10)15/h2-6H,1H3,(H,17,18).
What are the key properties of 2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid?
2-(2,5-dichlorophenyl)-6-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-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 118841905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).