3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indole

C17H14N2 — CID 155668346

IUPAC3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indole
SMILESc1cncc(-c2c[nH]c3c2CCc2ccccc2-3)c1
InChIInChI=1S/C17H14N2/c1-2-6-14-12(4-1)7-8-15-16(11-19-17(14)15)13-5-3-9-18-10-13/h1-6,9-11,19H,7-8H2
InChIKeyHWAXFGIPXLNGBV-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.84
Rot. Bonds1

About 3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indole

3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indole (PubChem CID 155668346) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indole.

Molecular Properties

Compound Name3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indole
PubChem CID155668346
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indole
SMILESc1cncc(-c2c[nH]c3c2CCc2ccccc2-3)c1
InChIInChI=1S/C17H14N2/c1-2-6-14-12(4-1)7-8-15-16(11-19-17(14)15)13-5-3-9-18-10-13/h1-6,9-11,19H,7-8H2
InChIKeyHWAXFGIPXLNGBV-UHFFFAOYSA-N
XLogP3.84
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenyl-4,5-dihydro-1H-benzo[g]indol-7-ol
CID 175923075
3-thiophen-2-yl-4,5-dihydro-1H-benzo[g]indole
CID 155668339
5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56863104
1-pyridin-3-yl-3,4-dihydroisoquinoline
CID 14192081
3-[(1E)-1-(2,3-dihydroinden-1-ylidene)ethyl]pyridine;hydrochloride
CID 68966659
5,6-dihydrobenzo[f]isoquinoline
CID 14566470
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
3-(2-methylphenyl)pyridine
CID 4133191
3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine
CID 142525776
3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid
CID 166154507
5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 169122125
2-iodo-3-pyridin-3-ylpyridine
CID 134338193

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indole?
The IUPAC name of 3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indole (CID 155668346) is 3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indole.
What is the SMILES notation for 3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indole?
The canonical SMILES for 3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indole is c1cncc(-c2c[nH]c3c2CCc2ccccc2-3)c1.
What is the InChIKey of 3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indole?
The InChIKey is HWAXFGIPXLNGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-2-6-14-12(4-1)7-8-15-16(11-19-17(14)15)13-5-3-9-18-10-13/h1-6,9-11,19H,7-8H2.
What are the key properties of 3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indole?
3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indole has a molecular weight of 246.31 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indole is sourced from PubChem (CID 155668346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).