2-(5-bromo-3-pyridinyl)-3-(trifluoromethyl)-1H-indole

C14H8BrF3N2 — CID 58215716

IUPAC2-(5-bromo-3-pyridinyl)-3-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1c(-c2cncc(Br)c2)[nH]c2ccccc12
InChIInChI=1S/C14H8BrF3N2/c15-9-5-8(6-19-7-9)13-12(14(16,17)18)10-3-1-2-4-11(10)20-13/h1-7,20H
InChIKeyPORVEBBKFGFTFM-UHFFFAOYSA-N
MW341.13 g/mol
LogP5.01
Rot. Bonds1

About 2-(5-bromo-3-pyridinyl)-3-(trifluoromethyl)-1H-indole

2-(5-bromo-3-pyridinyl)-3-(trifluoromethyl)-1H-indole (PubChem CID 58215716) has the molecular formula C14H8BrF3N2 and a molecular weight of 341.13 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-3-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-3-(trifluoromethyl)-1H-indole
PubChem CID58215716
Molecular FormulaC14H8BrF3N2
Molecular Weight341.13 g/mol
Exact Mass339.98
IUPAC Name2-(5-bromo-3-pyridinyl)-3-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1c(-c2cncc(Br)c2)[nH]c2ccccc12
InChIInChI=1S/C14H8BrF3N2/c15-9-5-8(6-19-7-9)13-12(14(16,17)18)10-3-1-2-4-11(10)20-13/h1-7,20H
InChIKeyPORVEBBKFGFTFM-UHFFFAOYSA-N
XLogP5.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.13
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)indole
CID 58215644
3-(trifluoromethyl)-1H-indol-2-ol
CID 154142036
4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine
CID 3359187
4-[2-(5-bromo-3-pyridinyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 4011886
4-[2-(5-bromo-3-pyridinyl)-5-phenylmethoxy-1H-indol-3-yl]butan-1-amine
CID 4012786
3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine
CID 58321914
3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine
CID 174924855
2-ethyl-3-(trifluoromethyl)-1H-indole
CID 147285687
3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
CID 138396389
2-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)-1H-indole
CID 118325089
3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 52937146
3-bromo-2-pyridin-4-yl-1H-indole
CID 40564641

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-3-(trifluoromethyl)-1H-indole?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-3-(trifluoromethyl)-1H-indole (CID 58215716) is 2-(5-bromo-3-pyridinyl)-3-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-3-(trifluoromethyl)-1H-indole?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-3-(trifluoromethyl)-1H-indole is FC(F)(F)c1c(-c2cncc(Br)c2)[nH]c2ccccc12.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-3-(trifluoromethyl)-1H-indole?
The InChIKey is PORVEBBKFGFTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3N2/c15-9-5-8(6-19-7-9)13-12(14(16,17)18)10-3-1-2-4-11(10)20-13/h1-7,20H.
What are the key properties of 2-(5-bromo-3-pyridinyl)-3-(trifluoromethyl)-1H-indole?
2-(5-bromo-3-pyridinyl)-3-(trifluoromethyl)-1H-indole has a molecular weight of 341.13 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-3-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 58215716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).