2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid

C15H15ClN2O2 — CID 107636152

IUPAC2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1ccc(Cl)c(Nc2nc(C)cc(C)c2C(=O)O)c1
InChIInChI=1S/C15H15ClN2O2/c1-8-4-5-11(16)12(6-8)18-14-13(15(19)20)9(2)7-10(3)17-14/h4-7H,1-3H3,(H,17,18)(H,19,20)
InChIKeyDXOIOBWTBHJBNF-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.10
Rot. Bonds3

About 2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid

2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 107636152) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID107636152
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1ccc(Cl)c(Nc2nc(C)cc(C)c2C(=O)O)c1
InChIInChI=1S/C15H15ClN2O2/c1-8-4-5-11(16)12(6-8)18-14-13(15(19)20)9(2)7-10(3)17-14/h4-7H,1-3H3,(H,17,18)(H,19,20)
InChIKeyDXOIOBWTBHJBNF-UHFFFAOYSA-N
XLogP4.10
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid (CID 107636152) is 2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid is Cc1ccc(Cl)c(Nc2nc(C)cc(C)c2C(=O)O)c1.
What is the InChIKey of 2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is DXOIOBWTBHJBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-8-4-5-11(16)12(6-8)18-14-13(15(19)20)9(2)7-10(3)17-14/h4-7H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid?
2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 107636152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).