dimethyl pyridine-3,5-dicarboxylate;hydrochloride

C9H10ClNO4 — CID 67354449

IUPACdimethyl pyridine-3,5-dicarboxylate;hydrochloride
SMILESCOC(=O)c1cncc(C(=O)OC)c1.Cl
InChIInChI=1S/C9H9NO4.ClH/c1-13-8(11)6-3-7(5-10-4-6)9(12)14-2;/h3-5H,1-2H3;1H
InChIKeyPPZFNLGPJXWMMF-UHFFFAOYSA-N
MW231.63 g/mol
LogP1.08
Rot. Bonds2

About dimethyl pyridine-3,5-dicarboxylate;hydrochloride

dimethyl pyridine-3,5-dicarboxylate;hydrochloride (PubChem CID 67354449) has the molecular formula C9H10ClNO4 and a molecular weight of 231.63 g/mol. Its IUPAC name is dimethyl pyridine-3,5-dicarboxylate;hydrochloride.

Molecular Properties

Compound Namedimethyl pyridine-3,5-dicarboxylate;hydrochloride
PubChem CID67354449
Molecular FormulaC9H10ClNO4
Molecular Weight231.63 g/mol
Exact Mass231.03
IUPAC Namedimethyl pyridine-3,5-dicarboxylate;hydrochloride
SMILESCOC(=O)c1cncc(C(=O)OC)c1.Cl
InChIInChI=1S/C9H9NO4.ClH/c1-13-8(11)6-3-7(5-10-4-6)9(12)14-2;/h3-5H,1-2H3;1H
InChIKeyPPZFNLGPJXWMMF-UHFFFAOYSA-N
XLogP1.08
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl pyridine-3,5-dicarboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[(Z)-C-chloro-N-hydroxycarbonimidoyl]pyridine-3-carboxylate
CID 135258489
methyl 5-carbamimidoylpyridine-3-carboxylate;hydrochloride
CID 126838265
methyl 5-ethylpyridine-3-carboxylate
CID 5323747
methyl 5-methylsulfonylpyridine-3-carboxylate
CID 23436925
methyl 5-methylsulfinylpyridine-3-carboxylate
CID 142057010
methyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate
CID 66684512
methyl 5-propa-1,2-dienylpyridine-3-carboxylate
CID 134856022
methyl 5-(2-hydroxyethyl)pyridine-3-carboxylate
CID 55266237
methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride
CID 163333350
methyl 5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxylate
CID 124637785
methyl 5-(4-fluorophenyl)pyridine-3-carboxylate
CID 22743456
methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate
CID 117222190

Frequently Asked Questions

What is the IUPAC name of dimethyl pyridine-3,5-dicarboxylate;hydrochloride?
The IUPAC name of dimethyl pyridine-3,5-dicarboxylate;hydrochloride (CID 67354449) is dimethyl pyridine-3,5-dicarboxylate;hydrochloride.
What is the SMILES notation for dimethyl pyridine-3,5-dicarboxylate;hydrochloride?
The canonical SMILES for dimethyl pyridine-3,5-dicarboxylate;hydrochloride is COC(=O)c1cncc(C(=O)OC)c1.Cl.
What is the InChIKey of dimethyl pyridine-3,5-dicarboxylate;hydrochloride?
The InChIKey is PPZFNLGPJXWMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4.ClH/c1-13-8(11)6-3-7(5-10-4-6)9(12)14-2;/h3-5H,1-2H3;1H.
What are the key properties of dimethyl pyridine-3,5-dicarboxylate;hydrochloride?
dimethyl pyridine-3,5-dicarboxylate;hydrochloride has a molecular weight of 231.63 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl pyridine-3,5-dicarboxylate;hydrochloride is sourced from PubChem (CID 67354449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).