oxolan-2-ylmethyl pyridine-3-carboxylate;hydrochloride

C11H14ClNO3 — CID 71587654

IUPACoxolan-2-ylmethyl pyridine-3-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CCCO1)c1cccnc1
InChIInChI=1S/C11H13NO3.ClH/c13-11(9-3-1-5-12-7-9)15-8-10-4-2-6-14-10;/h1,3,5,7,10H,2,4,6,8H2;1H
InChIKeyZKNSPKBZCPLLGV-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.84
Rot. Bonds3

About oxolan-2-ylmethyl pyridine-3-carboxylate;hydrochloride

oxolan-2-ylmethyl pyridine-3-carboxylate;hydrochloride (PubChem CID 71587654) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is oxolan-2-ylmethyl pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameoxolan-2-ylmethyl pyridine-3-carboxylate;hydrochloride
PubChem CID71587654
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Nameoxolan-2-ylmethyl pyridine-3-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CCCO1)c1cccnc1
InChIInChI=1S/C11H13NO3.ClH/c13-11(9-3-1-5-12-7-9)15-8-10-4-2-6-14-10;/h1,3,5,7,10H,2,4,6,8H2;1H
InChIKeyZKNSPKBZCPLLGV-UHFFFAOYSA-N
XLogP1.84
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl pyridine-3-carboxylate;hydrochloride?
The IUPAC name of oxolan-2-ylmethyl pyridine-3-carboxylate;hydrochloride (CID 71587654) is oxolan-2-ylmethyl pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for oxolan-2-ylmethyl pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for oxolan-2-ylmethyl pyridine-3-carboxylate;hydrochloride is Cl.O=C(OCC1CCCO1)c1cccnc1.
What is the InChIKey of oxolan-2-ylmethyl pyridine-3-carboxylate;hydrochloride?
The InChIKey is ZKNSPKBZCPLLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3.ClH/c13-11(9-3-1-5-12-7-9)15-8-10-4-2-6-14-10;/h1,3,5,7,10H,2,4,6,8H2;1H.
What are the key properties of oxolan-2-ylmethyl pyridine-3-carboxylate;hydrochloride?
oxolan-2-ylmethyl pyridine-3-carboxylate;hydrochloride has a molecular weight of 243.69 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 71587654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).