2-ethyl-6-methylpyridine-4-carboxylic acid;hydrochloride

C9H12ClNO2 — CID 67026882

IUPAC2-ethyl-6-methylpyridine-4-carboxylic acid;hydrochloride
SMILESCCc1cc(C(=O)O)cc(C)n1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-3-8-5-7(9(11)12)4-6(2)10-8;/h4-5H,3H2,1-2H3,(H,11,12);1H
InChIKeyTXAJNARYBPEPPY-UHFFFAOYSA-N
MW201.65 g/mol
LogP2.07
Rot. Bonds2

About 2-ethyl-6-methylpyridine-4-carboxylic acid;hydrochloride

2-ethyl-6-methylpyridine-4-carboxylic acid;hydrochloride (PubChem CID 67026882) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-ethyl-6-methylpyridine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-ethyl-6-methylpyridine-4-carboxylic acid;hydrochloride
PubChem CID67026882
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-ethyl-6-methylpyridine-4-carboxylic acid;hydrochloride
SMILESCCc1cc(C(=O)O)cc(C)n1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-3-8-5-7(9(11)12)4-6(2)10-8;/h4-5H,3H2,1-2H3,(H,11,12);1H
InChIKeyTXAJNARYBPEPPY-UHFFFAOYSA-N
XLogP2.07
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methylpyridine-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-ethyl-6-methylpyridine-4-carboxylic acid;hydrochloride (CID 67026882) is 2-ethyl-6-methylpyridine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-ethyl-6-methylpyridine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-ethyl-6-methylpyridine-4-carboxylic acid;hydrochloride is CCc1cc(C(=O)O)cc(C)n1.Cl.
What is the InChIKey of 2-ethyl-6-methylpyridine-4-carboxylic acid;hydrochloride?
The InChIKey is TXAJNARYBPEPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-3-8-5-7(9(11)12)4-6(2)10-8;/h4-5H,3H2,1-2H3,(H,11,12);1H.
What are the key properties of 2-ethyl-6-methylpyridine-4-carboxylic acid;hydrochloride?
2-ethyl-6-methylpyridine-4-carboxylic acid;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methylpyridine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 67026882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).