2,6-dimethylpyridine-3-carboxylic acid;hydrochloride

C8H10ClNO2 — CID 53407276

IUPAC2,6-dimethylpyridine-3-carboxylic acid;hydrochloride
SMILESCc1ccc(C(=O)O)c(C)n1.Cl
InChIInChI=1S/C8H9NO2.ClH/c1-5-3-4-7(8(10)11)6(2)9-5;/h3-4H,1-2H3,(H,10,11);1H
InChIKeyPELPCJCHRYHXBE-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.82
Rot. Bonds1

About 2,6-dimethylpyridine-3-carboxylic acid;hydrochloride

2,6-dimethylpyridine-3-carboxylic acid;hydrochloride (PubChem CID 53407276) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 2,6-dimethylpyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,6-dimethylpyridine-3-carboxylic acid;hydrochloride
PubChem CID53407276
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name2,6-dimethylpyridine-3-carboxylic acid;hydrochloride
SMILESCc1ccc(C(=O)O)c(C)n1.Cl
InChIInChI=1S/C8H9NO2.ClH/c1-5-3-4-7(8(10)11)6(2)9-5;/h3-4H,1-2H3,(H,10,11);1H
InChIKeyPELPCJCHRYHXBE-UHFFFAOYSA-N
XLogP1.82
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 2,6-dimethylpyridine-3-carboxylic acid;hydrochloride (CID 53407276) is 2,6-dimethylpyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,6-dimethylpyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2,6-dimethylpyridine-3-carboxylic acid;hydrochloride is Cc1ccc(C(=O)O)c(C)n1.Cl.
What is the InChIKey of 2,6-dimethylpyridine-3-carboxylic acid;hydrochloride?
The InChIKey is PELPCJCHRYHXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.ClH/c1-5-3-4-7(8(10)11)6(2)9-5;/h3-4H,1-2H3,(H,10,11);1H.
What are the key properties of 2,6-dimethylpyridine-3-carboxylic acid;hydrochloride?
2,6-dimethylpyridine-3-carboxylic acid;hydrochloride has a molecular weight of 187.63 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 53407276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).