2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid

C13H9Cl2NO2 — CID 170837701

IUPAC2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)ccnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2NO2/c1-7-8(13(17)18)5-6-16-12(7)9-3-2-4-10(14)11(9)15/h2-6H,1H3,(H,17,18)
InChIKeyHYMAWWMDJIQGAN-UHFFFAOYSA-N
MW282.13 g/mol
LogP4.06
Rot. Bonds2

About 2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid

2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid (PubChem CID 170837701) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid
PubChem CID170837701
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)ccnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2NO2/c1-7-8(13(17)18)5-6-16-12(7)9-3-2-4-10(14)11(9)15/h2-6H,1H3,(H,17,18)
InChIKeyHYMAWWMDJIQGAN-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid (CID 170837701) is 2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid is Cc1c(C(=O)O)ccnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid?
The InChIKey is HYMAWWMDJIQGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c1-7-8(13(17)18)5-6-16-12(7)9-3-2-4-10(14)11(9)15/h2-6H,1H3,(H,17,18).
What are the key properties of 2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid?
2-(2,3-dichlorophenyl)-3-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-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 170837701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).