5-bromo-3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole

C16H17BrN2 — CID 174354665

IUPAC5-bromo-3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole
SMILESCCN1C=CC=C(Cc2c[nH]c3ccc(Br)cc23)C1
InChIInChI=1S/C16H17BrN2/c1-2-19-7-3-4-12(11-19)8-13-10-18-16-6-5-14(17)9-15(13)16/h3-7,9-10,18H,2,8,11H2,1H3
InChIKeyMCNUIZUYOQXSMB-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.25
Rot. Bonds3

About 5-bromo-3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole

5-bromo-3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole (PubChem CID 174354665) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 5-bromo-3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole
PubChem CID174354665
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name5-bromo-3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole
SMILESCCN1C=CC=C(Cc2c[nH]c3ccc(Br)cc23)C1
InChIInChI=1S/C16H17BrN2/c1-2-19-7-3-4-12(11-19)8-13-10-18-16-6-5-14(17)9-15(13)16/h3-7,9-10,18H,2,8,11H2,1H3
InChIKeyMCNUIZUYOQXSMB-UHFFFAOYSA-N
XLogP4.25
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole-5-carbonitrile;hydrobromide
CID 174356029
3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 164522928
6-bromo-3-ethyl-1H-quinolin-4-one
CID 123462325
5-bromo-3-(chloromethyl)-1H-indole
CID 66854082
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
5-bromo-3-[(3,4-diethoxyphenyl)methyl]-1H-indole
CID 26367142
5-bromo-3-(cyclobutylmethyl)-1H-indole
CID 106985526
1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115304190
2-(5-bromo-1H-indol-3-yl)acetaldehyde
CID 20623493
N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine
CID 82622001
2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethanamine oxide
CID 53493869
1-[1-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 63250772

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole (CID 174354665) is 5-bromo-3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole is CCN1C=CC=C(Cc2c[nH]c3ccc(Br)cc23)C1.
What is the InChIKey of 5-bromo-3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole?
The InChIKey is MCNUIZUYOQXSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-2-19-7-3-4-12(11-19)8-13-10-18-16-6-5-14(17)9-15(13)16/h3-7,9-10,18H,2,8,11H2,1H3.
What are the key properties of 5-bromo-3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole?
5-bromo-3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole has a molecular weight of 317.23 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole is sourced from PubChem (CID 174354665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).