5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane

C16H21BrN2 — CID 143668199

IUPAC5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane
SMILESCC.CN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C14H15BrN2.C2H6/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14;1-2/h2-4,8-9,16H,5-7H2,1H3;1-2H3
InChIKeyFGVDACNRZVAQCB-UHFFFAOYSA-N
MW321.26 g/mol
LogP4.68
Rot. Bonds1

About 5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane

5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane (PubChem CID 143668199) has the molecular formula C16H21BrN2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane.

Molecular Properties

Compound Name5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane
PubChem CID143668199
Molecular FormulaC16H21BrN2
Molecular Weight321.26 g/mol
Exact Mass320.09
IUPAC Name5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane
SMILESCC.CN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C14H15BrN2.C2H6/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14;1-2/h2-4,8-9,16H,5-7H2,1H3;1-2H3
InChIKeyFGVDACNRZVAQCB-UHFFFAOYSA-N
XLogP4.68
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 126455284
5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 84569970
1-[4-(5-bromo-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one
CID 84560865
5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 2763724
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenoxy-1H-indole;oxalic acid
CID 44533059
methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate
CID 15951273
4-(4-bromo-2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 155415165
1-[4-(5-bromo-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenoxyethanone
CID 84559821
but-2-enedioic acid;N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propanamide
CID 70105932
N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride
CID 67923514
(E)-1-[4-(5-bromo-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 84558654
2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone
CID 23003762

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane?
The IUPAC name of 5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane (CID 143668199) is 5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane.
What is the SMILES notation for 5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane?
The canonical SMILES for 5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane is CC.CN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1.
What is the InChIKey of 5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane?
The InChIKey is FGVDACNRZVAQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2.C2H6/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14;1-2/h2-4,8-9,16H,5-7H2,1H3;1-2H3.
What are the key properties of 5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane?
5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane has a molecular weight of 321.26 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane is sourced from PubChem (CID 143668199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).