pyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride

C11H15ClN2O2 — CID 53409845

IUPACpyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CCNC1)c1ccncc1
InChIInChI=1S/C11H14N2O2.ClH/c14-11(10-2-5-12-6-3-10)15-8-9-1-4-13-7-9;/h2-3,5-6,9,13H,1,4,7-8H2;1H
InChIKeyLRNXEOYGJWWCHJ-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.27
Rot. Bonds3

About pyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride

pyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride (PubChem CID 53409845) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is pyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namepyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride
PubChem CID53409845
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Namepyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CCNC1)c1ccncc1
InChIInChI=1S/C11H14N2O2.ClH/c14-11(10-2-5-12-6-3-10)15-8-9-1-4-13-7-9;/h2-3,5-6,9,13H,1,4,7-8H2;1H
InChIKeyLRNXEOYGJWWCHJ-UHFFFAOYSA-N
XLogP1.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride
CID 53410155
pyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride
CID 53409827
piperidin-3-ylmethyl benzoate
CID 53409803
piperidin-4-yl pyridine-4-carboxylate
CID 53410138
pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride
CID 91623851
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
pyrrolidin-3-ylmethyl 2-chloroacetate;hydrochloride
CID 53409833
pyrrolidin-3-ylmethyl 2,2,2-trichloroacetate;hydrochloride
CID 56829476
2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate
CID 86319343
[(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate
CID 86319695
4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride
CID 126845941

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride?
The IUPAC name of pyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride (CID 53409845) is pyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride.
What is the SMILES notation for pyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride?
The canonical SMILES for pyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride is Cl.O=C(OCC1CCNC1)c1ccncc1.
What is the InChIKey of pyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride?
The InChIKey is LRNXEOYGJWWCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.ClH/c14-11(10-2-5-12-6-3-10)15-8-9-1-4-13-7-9;/h2-3,5-6,9,13H,1,4,7-8H2;1H.
What are the key properties of pyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride?
pyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride is sourced from PubChem (CID 53409845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).