4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride

C9H12ClNO4 — CID 139270209

IUPAC4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride
SMILESCOc1cc(OC)c(C(=O)O)c(C)n1.Cl
InChIInChI=1S/C9H11NO4.ClH/c1-5-8(9(11)12)6(13-2)4-7(10-5)14-3;/h4H,1-3H3,(H,11,12);1H
InChIKeyMJGTYEOPCODOJZ-UHFFFAOYSA-N
MW233.65 g/mol
LogP1.53
Rot. Bonds3

About 4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride

4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride (PubChem CID 139270209) has the molecular formula C9H12ClNO4 and a molecular weight of 233.65 g/mol. Its IUPAC name is 4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride
PubChem CID139270209
Molecular FormulaC9H12ClNO4
Molecular Weight233.65 g/mol
Exact Mass233.05
IUPAC Name4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride
SMILESCOc1cc(OC)c(C(=O)O)c(C)n1.Cl
InChIInChI=1S/C9H11NO4.ClH/c1-5-8(9(11)12)6(13-2)4-7(10-5)14-3;/h4H,1-3H3,(H,11,12);1H
InChIKeyMJGTYEOPCODOJZ-UHFFFAOYSA-N
XLogP1.53
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride (CID 139270209) is 4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride is COc1cc(OC)c(C(=O)O)c(C)n1.Cl.
What is the InChIKey of 4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride?
The InChIKey is MJGTYEOPCODOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4.ClH/c1-5-8(9(11)12)6(13-2)4-7(10-5)14-3;/h4H,1-3H3,(H,11,12);1H.
What are the key properties of 4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride?
4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride has a molecular weight of 233.65 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 139270209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).