4-amino-3-chloro-5-methyl-6-(4-methylphenyl)pyridine-2-carboxylic acid;ethane

C16H19ClN2O2 — CID 144715982

IUPAC4-amino-3-chloro-5-methyl-6-(4-methylphenyl)pyridine-2-carboxylic acid;ethane
SMILESCC.Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2C)cc1
InChIInChI=1S/C14H13ClN2O2.C2H6/c1-7-3-5-9(6-4-7)12-8(2)11(16)10(15)13(17-12)14(18)19;1-2/h3-6H,1-2H3,(H2,16,17)(H,18,19);1-2H3
InChIKeyWMQYGKHOKFQPJV-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.33
Rot. Bonds2

About 4-amino-3-chloro-5-methyl-6-(4-methylphenyl)pyridine-2-carboxylic acid;ethane

4-amino-3-chloro-5-methyl-6-(4-methylphenyl)pyridine-2-carboxylic acid;ethane (PubChem CID 144715982) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 4-amino-3-chloro-5-methyl-6-(4-methylphenyl)pyridine-2-carboxylic acid;ethane.

Molecular Properties

Compound Name4-amino-3-chloro-5-methyl-6-(4-methylphenyl)pyridine-2-carboxylic acid;ethane
PubChem CID144715982
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name4-amino-3-chloro-5-methyl-6-(4-methylphenyl)pyridine-2-carboxylic acid;ethane
SMILESCC.Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2C)cc1
InChIInChI=1S/C14H13ClN2O2.C2H6/c1-7-3-5-9(6-4-7)12-8(2)11(16)10(15)13(17-12)14(18)19;1-2/h3-6H,1-2H3,(H2,16,17)(H,18,19);1-2H3
InChIKeyWMQYGKHOKFQPJV-UHFFFAOYSA-N
XLogP4.33
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-5-methyl-6-(4-methylphenyl)pyridine-2-carboxylic acid;ethane?
The IUPAC name of 4-amino-3-chloro-5-methyl-6-(4-methylphenyl)pyridine-2-carboxylic acid;ethane (CID 144715982) is 4-amino-3-chloro-5-methyl-6-(4-methylphenyl)pyridine-2-carboxylic acid;ethane.
What is the SMILES notation for 4-amino-3-chloro-5-methyl-6-(4-methylphenyl)pyridine-2-carboxylic acid;ethane?
The canonical SMILES for 4-amino-3-chloro-5-methyl-6-(4-methylphenyl)pyridine-2-carboxylic acid;ethane is CC.Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2C)cc1.
What is the InChIKey of 4-amino-3-chloro-5-methyl-6-(4-methylphenyl)pyridine-2-carboxylic acid;ethane?
The InChIKey is WMQYGKHOKFQPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2.C2H6/c1-7-3-5-9(6-4-7)12-8(2)11(16)10(15)13(17-12)14(18)19;1-2/h3-6H,1-2H3,(H2,16,17)(H,18,19);1-2H3.
What are the key properties of 4-amino-3-chloro-5-methyl-6-(4-methylphenyl)pyridine-2-carboxylic acid;ethane?
4-amino-3-chloro-5-methyl-6-(4-methylphenyl)pyridine-2-carboxylic acid;ethane has a molecular weight of 306.79 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-5-methyl-6-(4-methylphenyl)pyridine-2-carboxylic acid;ethane is sourced from PubChem (CID 144715982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).