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

C10H13ClN2O2 — CID 53409827

IUPACpyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride
SMILESCl.O=C(OC1CCNC1)c1ccncc1
InChIInChI=1S/C10H12N2O2.ClH/c13-10(8-1-4-11-5-2-8)14-9-3-6-12-7-9;/h1-2,4-5,9,12H,3,6-7H2;1H
InChIKeyAZCZYYYGRGACFQ-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.02
Rot. Bonds2

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

pyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride (PubChem CID 53409827) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is pyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namepyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride
PubChem CID53409827
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Namepyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride
SMILESCl.O=C(OC1CCNC1)c1ccncc1
InChIInChI=1S/C10H12N2O2.ClH/c13-10(8-1-4-11-5-2-8)14-9-3-6-12-7-9;/h1-2,4-5,9,12H,3,6-7H2;1H
InChIKeyAZCZYYYGRGACFQ-UHFFFAOYSA-N
XLogP1.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-4-yl pyridine-4-carboxylate
CID 53410138
pyrrolidin-3-yl 4-methoxybenzoate;hydrochloride
CID 53409824
pyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride
CID 53409845
pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride
CID 91623851
pyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride
CID 56829440
piperidin-4-yl 4-fluorobenzoate
CID 22921983
piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride
CID 53410155
(2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate
CID 19790577
[(3R)-4-phenylpiperidin-3-yl] pyridine-4-carboxylate;2,2,2-trifluoroacetic acid
CID 142245581
[(3S,5S)-5-methoxycarbonylpyrrolidin-3-yl] pyridine-4-carboxylate
CID 56829435
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
[(3R)-pyrrolidin-3-yl] carbamate;hydrochloride
CID 67938211

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride?
The IUPAC name of pyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride (CID 53409827) is pyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride.
What is the SMILES notation for pyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride?
The canonical SMILES for pyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride is Cl.O=C(OC1CCNC1)c1ccncc1.
What is the InChIKey of pyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride?
The InChIKey is AZCZYYYGRGACFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.ClH/c13-10(8-1-4-11-5-2-8)14-9-3-6-12-7-9;/h1-2,4-5,9,12H,3,6-7H2;1H.
What are the key properties of pyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride?
pyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride has a molecular weight of 228.68 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride is sourced from PubChem (CID 53409827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).