2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride

C12H17ClN2O3 — CID 50944397

IUPAC2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCOCC1)c1cccnc1
InChIInChI=1S/C12H16N2O3.ClH/c15-12(11-2-1-3-13-10-11)17-9-6-14-4-7-16-8-5-14;/h1-3,10H,4-9H2;1H
InChIKeyZSWXNEGKABIPID-UHFFFAOYSA-N
MW272.73 g/mol
LogP0.99
Rot. Bonds4

About 2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride

2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride (PubChem CID 50944397) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride
PubChem CID50944397
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCOCC1)c1cccnc1
InChIInChI=1S/C12H16N2O3.ClH/c15-12(11-2-1-3-13-10-11)17-9-6-14-4-7-16-8-5-14;/h1-3,10H,4-9H2;1H
InChIKeyZSWXNEGKABIPID-UHFFFAOYSA-N
XLogP0.99
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis((Z)-but-2-enedioic acid);2-(4-methylpiperazin-1-yl)ethyl pyridine-3-carboxylate
CID 6434550
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400
2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate
CID 167823575
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
CID 15086407
2-morpholin-4-ylethyl 4-ethynylbenzoate;hydrochloride
CID 71386007
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
CID 23802850
N-(2-morpholin-4-ylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110408170
2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate
CID 166930213
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride?
The IUPAC name of 2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride (CID 50944397) is 2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for 2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for 2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride is Cl.O=C(OCCN1CCOCC1)c1cccnc1.
What is the InChIKey of 2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride?
The InChIKey is ZSWXNEGKABIPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3.ClH/c15-12(11-2-1-3-13-10-11)17-9-6-14-4-7-16-8-5-14;/h1-3,10H,4-9H2;1H.
What are the key properties of 2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride?
2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride has a molecular weight of 272.73 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 50944397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).