3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride

C14H14ClN3 — CID 154728760

IUPAC3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1
InChIInChI=1S/C14H13N3.ClH/c15-8-10-1-2-14-12(7-10)13(9-17-14)11-3-5-16-6-4-11;/h1-3,7,9,16-17H,4-6H2;1H
InChIKeySJARBEPAPWPVBT-UHFFFAOYSA-N
MW259.74 g/mol
LogP2.84
Rot. Bonds1

About 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride

3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride (PubChem CID 154728760) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride.

Molecular Properties

Compound Name3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride
PubChem CID154728760
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1
InChIInChI=1S/C14H13N3.ClH/c15-8-10-1-2-14-12(7-10)13(9-17-14)11-3-5-16-6-4-11;/h1-3,7,9,16-17H,4-6H2;1H
InChIKeySJARBEPAPWPVBT-UHFFFAOYSA-N
XLogP2.84
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
CID 11333554
5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 2763724
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol
CID 15646678
4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride
CID 156733025
methyl 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate
CID 21469433
3-[4-[methyl(2-phenylethyl)amino]cyclohexen-1-yl]-1H-indole-5-carbonitrile
CID 15290840
3-(2-chlorothiophen-3-yl)-1H-indole-5-carbonitrile
CID 135380382
3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexen-1-yl]-1H-indole-5-carbonitrile
CID 10112939
ethane;3-methyl-1H-indole-5-carbonitrile
CID 142817780
N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]naphthalene-2-sulfonamide
CID 102430109
3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1H-indole-5-carbonitrile
CID 155227556
3-acetyl-1H-indole-5-carbonitrile
CID 28505

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride?
The IUPAC name of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride (CID 154728760) is 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride.
What is the SMILES notation for 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride?
The canonical SMILES for 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride is Cl.N#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1.
What is the InChIKey of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride?
The InChIKey is SJARBEPAPWPVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3.ClH/c15-8-10-1-2-14-12(7-10)13(9-17-14)11-3-5-16-6-4-11;/h1-3,7,9,16-17H,4-6H2;1H.
What are the key properties of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride?
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride has a molecular weight of 259.74 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride is sourced from PubChem (CID 154728760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).