4,6-dimethylpyridine-2-carboxylic acid;hydrochloride

C8H10ClNO2 — CID 71306187

IUPAC4,6-dimethylpyridine-2-carboxylic acid;hydrochloride
SMILESCc1cc(C)nc(C(=O)O)c1.Cl
InChIInChI=1S/C8H9NO2.ClH/c1-5-3-6(2)9-7(4-5)8(10)11;/h3-4H,1-2H3,(H,10,11);1H
InChIKeyKSQQSMFNZGTLHY-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.82
Rot. Bonds1

About 4,6-dimethylpyridine-2-carboxylic acid;hydrochloride

4,6-dimethylpyridine-2-carboxylic acid;hydrochloride (PubChem CID 71306187) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 4,6-dimethylpyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4,6-dimethylpyridine-2-carboxylic acid;hydrochloride
PubChem CID71306187
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name4,6-dimethylpyridine-2-carboxylic acid;hydrochloride
SMILESCc1cc(C)nc(C(=O)O)c1.Cl
InChIInChI=1S/C8H9NO2.ClH/c1-5-3-6(2)9-7(4-5)8(10)11;/h3-4H,1-2H3,(H,10,11);1H
InChIKeyKSQQSMFNZGTLHY-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 4,6-dimethylpyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4,6-dimethylpyridine-2-carboxylic acid;hydrochloride (CID 71306187) is 4,6-dimethylpyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4,6-dimethylpyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4,6-dimethylpyridine-2-carboxylic acid;hydrochloride is Cc1cc(C)nc(C(=O)O)c1.Cl.
What is the InChIKey of 4,6-dimethylpyridine-2-carboxylic acid;hydrochloride?
The InChIKey is KSQQSMFNZGTLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.ClH/c1-5-3-6(2)9-7(4-5)8(10)11;/h3-4H,1-2H3,(H,10,11);1H.
What are the key properties of 4,6-dimethylpyridine-2-carboxylic acid;hydrochloride?
4,6-dimethylpyridine-2-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 4,6-dimethylpyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 71306187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).