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

C15H10BrF3N2 — CID 58215644

IUPAC2-(5-bromo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)indole
SMILESCn1c(-c2cncc(Br)c2)c(C(F)(F)F)c2ccccc21
InChIInChI=1S/C15H10BrF3N2/c1-21-12-5-3-2-4-11(12)13(15(17,18)19)14(21)9-6-10(16)8-20-7-9/h2-8H,1H3
InChIKeyGCDMMSSHWCDGKQ-UHFFFAOYSA-N
MW355.16 g/mol
LogP5.02
Rot. Bonds1

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

2-(5-bromo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)indole (PubChem CID 58215644) has the molecular formula C15H10BrF3N2 and a molecular weight of 355.16 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)indole.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)indole
PubChem CID58215644
Molecular FormulaC15H10BrF3N2
Molecular Weight355.16 g/mol
Exact Mass354.00
IUPAC Name2-(5-bromo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)indole
SMILESCn1c(-c2cncc(Br)c2)c(C(F)(F)F)c2ccccc21
InChIInChI=1S/C15H10BrF3N2/c1-21-12-5-3-2-4-11(12)13(15(17,18)19)14(21)9-6-10(16)8-20-7-9/h2-8H,1H3
InChIKeyGCDMMSSHWCDGKQ-UHFFFAOYSA-N
XLogP5.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.16
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)indole?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)indole (CID 58215644) is 2-(5-bromo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)indole.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)indole?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)indole is Cn1c(-c2cncc(Br)c2)c(C(F)(F)F)c2ccccc21.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)indole?
The InChIKey is GCDMMSSHWCDGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3N2/c1-21-12-5-3-2-4-11(12)13(15(17,18)19)14(21)9-6-10(16)8-20-7-9/h2-8H,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)indole?
2-(5-bromo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)indole has a molecular weight of 355.16 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)indole is sourced from PubChem (CID 58215644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).