5-bromo-3-(pyridin-3-ylmethyl)-1H-indole

C14H11BrN2 — CID 18940837

IUPAC5-bromo-3-(pyridin-3-ylmethyl)-1H-indole
SMILESBrc1ccc2[nH]cc(Cc3cccnc3)c2c1
InChIInChI=1S/C14H11BrN2/c15-12-3-4-14-13(7-12)11(9-17-14)6-10-2-1-5-16-8-10/h1-5,7-9,17H,6H2
InChIKeyKJYXNYKITZMZOM-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.92
Rot. Bonds2

About 5-bromo-3-(pyridin-3-ylmethyl)-1H-indole

5-bromo-3-(pyridin-3-ylmethyl)-1H-indole (PubChem CID 18940837) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-3-(pyridin-3-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(pyridin-3-ylmethyl)-1H-indole
PubChem CID18940837
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name5-bromo-3-(pyridin-3-ylmethyl)-1H-indole
SMILESBrc1ccc2[nH]cc(Cc3cccnc3)c2c1
InChIInChI=1S/C14H11BrN2/c15-12-3-4-14-13(7-12)11(9-17-14)6-10-2-1-5-16-8-10/h1-5,7-9,17H,6H2
InChIKeyKJYXNYKITZMZOM-UHFFFAOYSA-N
XLogP3.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-3-(pyridin-3-ylmethyl)-1H-indole
CID 18940880
(2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]acetic acid
CID 29128305
3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 164522928
3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702
5-bromo-3-(chloromethyl)-1H-indole
CID 66854082
(Z)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 6140309
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
5-bromo-3-[(3,4-diethoxyphenyl)methyl]-1H-indole
CID 26367142
3-[(5-bromo-1H-indol-3-yl)methyl]-2-methylquinoline
CID 101469679
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine
CID 82622001
2-(5-bromo-1H-indol-3-yl)acetaldehyde
CID 20623493

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(pyridin-3-ylmethyl)-1H-indole?
The IUPAC name of 5-bromo-3-(pyridin-3-ylmethyl)-1H-indole (CID 18940837) is 5-bromo-3-(pyridin-3-ylmethyl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(pyridin-3-ylmethyl)-1H-indole?
The canonical SMILES for 5-bromo-3-(pyridin-3-ylmethyl)-1H-indole is Brc1ccc2[nH]cc(Cc3cccnc3)c2c1.
What is the InChIKey of 5-bromo-3-(pyridin-3-ylmethyl)-1H-indole?
The InChIKey is KJYXNYKITZMZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c15-12-3-4-14-13(7-12)11(9-17-14)6-10-2-1-5-16-8-10/h1-5,7-9,17H,6H2.
What are the key properties of 5-bromo-3-(pyridin-3-ylmethyl)-1H-indole?
5-bromo-3-(pyridin-3-ylmethyl)-1H-indole has a molecular weight of 287.16 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(pyridin-3-ylmethyl)-1H-indole is sourced from PubChem (CID 18940837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).