propyl 1-methyl-2H-pyridine-3-carboxylate;hydrochloride

C10H16ClNO2 — CID 67461618

IUPACpropyl 1-methyl-2H-pyridine-3-carboxylate;hydrochloride
SMILESCCCOC(=O)C1=CC=CN(C)C1.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-3-7-13-10(12)9-5-4-6-11(2)8-9;/h4-6H,3,7-8H2,1-2H3;1H
InChIKeyIAMZQBQPEHEFTL-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.75
Rot. Bonds3

About propyl 1-methyl-2H-pyridine-3-carboxylate;hydrochloride

propyl 1-methyl-2H-pyridine-3-carboxylate;hydrochloride (PubChem CID 67461618) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is propyl 1-methyl-2H-pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namepropyl 1-methyl-2H-pyridine-3-carboxylate;hydrochloride
PubChem CID67461618
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Namepropyl 1-methyl-2H-pyridine-3-carboxylate;hydrochloride
SMILESCCCOC(=O)C1=CC=CN(C)C1.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-3-7-13-10(12)9-5-4-6-11(2)8-9;/h4-6H,3,7-8H2,1-2H3;1H
InChIKeyIAMZQBQPEHEFTL-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 150449718
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propyl 2H-oxete-3-carboxylate
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propyl 3-oxocyclopentene-1-carboxylate
CID 102436268
ethyl 1-[[4-(trifluoromethyl)phenyl]methyl]-2H-pyridine-3-carboxylate
CID 134185858
ethyl cyclopenta-1,3-diene-1-carboxylate
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tetrapropyl naphthalene-1,4,5,8-tetracarboxylate
CID 21270260
dipropyl cyclohepta-1,3,6-triene-1,2-dicarboxylate
CID 66809374
propyl 3,4,5-trihydroxybenzoate
CID 4947
dipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate
CID 66858398
dipropyl cyclohepta-2,4,6-triene-1,2-dicarboxylate
CID 66809399
propyl 2-(3-methyl-2H-imidazol-1-yl)acetate
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Frequently Asked Questions

What is the IUPAC name of propyl 1-methyl-2H-pyridine-3-carboxylate;hydrochloride?
The IUPAC name of propyl 1-methyl-2H-pyridine-3-carboxylate;hydrochloride (CID 67461618) is propyl 1-methyl-2H-pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for propyl 1-methyl-2H-pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for propyl 1-methyl-2H-pyridine-3-carboxylate;hydrochloride is CCCOC(=O)C1=CC=CN(C)C1.Cl.
What is the InChIKey of propyl 1-methyl-2H-pyridine-3-carboxylate;hydrochloride?
The InChIKey is IAMZQBQPEHEFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.ClH/c1-3-7-13-10(12)9-5-4-6-11(2)8-9;/h4-6H,3,7-8H2,1-2H3;1H.
What are the key properties of propyl 1-methyl-2H-pyridine-3-carboxylate;hydrochloride?
propyl 1-methyl-2H-pyridine-3-carboxylate;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-methyl-2H-pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 67461618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).