5-(furan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride

C9H12ClNO — CID 119031101

IUPAC5-(furan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESC1=C(c2ccco2)CNCC1.Cl
InChIInChI=1S/C9H11NO.ClH/c1-3-8(7-10-5-1)9-4-2-6-11-9;/h2-4,6,10H,1,5,7H2;1H
InChIKeyBZNHZKZICNAIOC-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.08
Rot. Bonds1

About 5-(furan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride

5-(furan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 119031101) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 5-(furan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name5-(furan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID119031101
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name5-(furan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESC1=C(c2ccco2)CNCC1.Cl
InChIInChI=1S/C9H11NO.ClH/c1-3-8(7-10-5-1)9-4-2-6-11-9;/h2-4,6,10H,1,5,7H2;1H
InChIKeyBZNHZKZICNAIOC-UHFFFAOYSA-N
XLogP2.08
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylfuran;piperazine
CID 68614405
3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-benzothiazole
CID 168995047
ethane;2-(furan-2-yl)furan
CID 161366084
5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole;hydrochloride
CID 154803645
2-(furan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135905333
2-cyclopenta-1,4-dien-1-ylfuran;zirconium;dihydrochloride
CID 175334849
4-ethyl-2-(furan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742401
2-(1H-inden-2-yl)furan;zirconium
CID 174544021
3-(furan-2-yl)cyclopent-2-en-1-ol
CID 65174474
2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline
CID 167902971
5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine
CID 130506647
3-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,5-a]pyridine
CID 176569420

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 5-(furan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride (CID 119031101) is 5-(furan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 5-(furan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 5-(furan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride is C1=C(c2ccco2)CNCC1.Cl.
What is the InChIKey of 5-(furan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is BZNHZKZICNAIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c1-3-8(7-10-5-1)9-4-2-6-11-9;/h2-4,6,10H,1,5,7H2;1H.
What are the key properties of 5-(furan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride?
5-(furan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 185.65 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 119031101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).