4-(3,4-dihydro-2H-pyrrol-4-yl)pyridine;hydrochloride

C9H11ClN2 — CID 174768486

IUPAC4-(3,4-dihydro-2H-pyrrol-4-yl)pyridine;hydrochloride
SMILESC1=NCCC1c1ccncc1.Cl
InChIInChI=1S/C9H10N2.ClH/c1-4-10-5-2-8(1)9-3-6-11-7-9;/h1-2,4-5,7,9H,3,6H2;1H
InChIKeyLOUVDTNSKPGZBU-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.06
Rot. Bonds1

About 4-(3,4-dihydro-2H-pyrrol-4-yl)pyridine;hydrochloride

4-(3,4-dihydro-2H-pyrrol-4-yl)pyridine;hydrochloride (PubChem CID 174768486) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyrrol-4-yl)pyridine;hydrochloride.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyrrol-4-yl)pyridine;hydrochloride
PubChem CID174768486
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name4-(3,4-dihydro-2H-pyrrol-4-yl)pyridine;hydrochloride
SMILESC1=NCCC1c1ccncc1.Cl
InChIInChI=1S/C9H10N2.ClH/c1-4-10-5-2-8(1)9-3-6-11-7-9;/h1-2,4-5,7,9H,3,6H2;1H
InChIKeyLOUVDTNSKPGZBU-UHFFFAOYSA-N
XLogP2.06
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R,3S,4R,5S,10S,11R,12S,13R)-4,11,12-tripyridin-4-yl-3-pentacyclo[12.2.2.26,9.02,5.010,13]icosa-1(16),6(20),7,9(19),14,17-hexaenyl]pyridine
CID 101374305
4-cyclohex-2-en-1-ylpyridine
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4-cyclohexa-2,4-dien-1-ylpyridine
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4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835
4-piperidin-3-ylpyridine;dihydrochloride
CID 91809614
5-pyridin-4-yl-4,5-dihydro-1,3-oxazole
CID 143270067
4-[(2R)-pyrrolidin-1-ium-2-yl]pyridine
CID 7047807
4-[(1S,2S)-2-methylcyclopropyl]pyridine
CID 40787591
4-(4-propan-2-ylcyclohexyl)pyridine
CID 140629091
4-pyrazolidin-3-ylpyridine
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5-pyridin-4-ylpyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyrrol-4-yl)pyridine;hydrochloride?
The IUPAC name of 4-(3,4-dihydro-2H-pyrrol-4-yl)pyridine;hydrochloride (CID 174768486) is 4-(3,4-dihydro-2H-pyrrol-4-yl)pyridine;hydrochloride.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyrrol-4-yl)pyridine;hydrochloride?
The canonical SMILES for 4-(3,4-dihydro-2H-pyrrol-4-yl)pyridine;hydrochloride is C1=NCCC1c1ccncc1.Cl.
What is the InChIKey of 4-(3,4-dihydro-2H-pyrrol-4-yl)pyridine;hydrochloride?
The InChIKey is LOUVDTNSKPGZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.ClH/c1-4-10-5-2-8(1)9-3-6-11-7-9;/h1-2,4-5,7,9H,3,6H2;1H.
What are the key properties of 4-(3,4-dihydro-2H-pyrrol-4-yl)pyridine;hydrochloride?
4-(3,4-dihydro-2H-pyrrol-4-yl)pyridine;hydrochloride has a molecular weight of 182.65 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyrrol-4-yl)pyridine;hydrochloride is sourced from PubChem (CID 174768486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).