3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile

C14H13N3 — CID 176569727

IUPAC3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile
SMILESN#Cc1cccc2c(C3=CCCNC3)c[nH]c12
InChIInChI=1S/C14H13N3/c15-7-10-3-1-5-12-13(9-17-14(10)12)11-4-2-6-16-8-11/h1,3-5,9,16-17H,2,6,8H2
InChIKeyQOFPCBLYZZAAOQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.42
Rot. Bonds1

About 3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile

3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile (PubChem CID 176569727) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile
PubChem CID176569727
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile
SMILESN#Cc1cccc2c(C3=CCCNC3)c[nH]c12
InChIInChI=1S/C14H13N3/c15-7-10-3-1-5-12-13(9-17-14(10)12)11-4-2-6-16-8-11/h1,3-5,9,16-17H,2,6,8H2
InChIKeyQOFPCBLYZZAAOQ-UHFFFAOYSA-N
XLogP2.42
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole
CID 168941463
6-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole
CID 168941676
3-(2-methylpropanoyl)-1H-indole-7-carbonitrile
CID 83885759
5-(7-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine
CID 176569311
3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile
CID 165172486
3-[5-amino-6-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile
CID 167350794
7-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11310393
5-(3-bromo-2-fluorophenyl)-1,2,3,6-tetrahydropyridine
CID 130506757
3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-7-carbonitrile
CID 175858861
oxalic acid;bis(4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole)
CID 3068362
3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile
CID 167350661
4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135583996

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile?
The IUPAC name of 3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile (CID 176569727) is 3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile.
What is the SMILES notation for 3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile?
The canonical SMILES for 3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile is N#Cc1cccc2c(C3=CCCNC3)c[nH]c12.
What is the InChIKey of 3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile?
The InChIKey is QOFPCBLYZZAAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c15-7-10-3-1-5-12-13(9-17-14(10)12)11-4-2-6-16-8-11/h1,3-5,9,16-17H,2,6,8H2.
What are the key properties of 3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile?
3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.42, 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-5-yl)-1H-indole-7-carbonitrile is sourced from PubChem (CID 176569727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).