1-methyl-6-[5-(trifluoromethyl)-3-pyridinyl]indole

C15H11F3N2 — CID 150729998

IUPAC1-methyl-6-[5-(trifluoromethyl)-3-pyridinyl]indole
SMILESCn1ccc2ccc(-c3cncc(C(F)(F)F)c3)cc21
InChIInChI=1S/C15H11F3N2/c1-20-5-4-10-2-3-11(7-14(10)20)12-6-13(9-19-8-12)15(16,17)18/h2-9H,1H3
InChIKeyJRQIOCUHZNYGNX-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.26
Rot. Bonds1

About 1-methyl-6-[5-(trifluoromethyl)-3-pyridinyl]indole

1-methyl-6-[5-(trifluoromethyl)-3-pyridinyl]indole (PubChem CID 150729998) has the molecular formula C15H11F3N2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-methyl-6-[5-(trifluoromethyl)-3-pyridinyl]indole.

Molecular Properties

Compound Name1-methyl-6-[5-(trifluoromethyl)-3-pyridinyl]indole
PubChem CID150729998
Molecular FormulaC15H11F3N2
Molecular Weight276.26 g/mol
Exact Mass276.09
IUPAC Name1-methyl-6-[5-(trifluoromethyl)-3-pyridinyl]indole
SMILESCn1ccc2ccc(-c3cncc(C(F)(F)F)c3)cc21
InChIInChI=1S/C15H11F3N2/c1-20-5-4-10-2-3-11(7-14(10)20)12-6-13(9-19-8-12)15(16,17)18/h2-9H,1H3
InChIKeyJRQIOCUHZNYGNX-UHFFFAOYSA-N
XLogP4.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[5-(trifluoromethyl)-3-pyridinyl]indole?
The IUPAC name of 1-methyl-6-[5-(trifluoromethyl)-3-pyridinyl]indole (CID 150729998) is 1-methyl-6-[5-(trifluoromethyl)-3-pyridinyl]indole.
What is the SMILES notation for 1-methyl-6-[5-(trifluoromethyl)-3-pyridinyl]indole?
The canonical SMILES for 1-methyl-6-[5-(trifluoromethyl)-3-pyridinyl]indole is Cn1ccc2ccc(-c3cncc(C(F)(F)F)c3)cc21.
What is the InChIKey of 1-methyl-6-[5-(trifluoromethyl)-3-pyridinyl]indole?
The InChIKey is JRQIOCUHZNYGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2/c1-20-5-4-10-2-3-11(7-14(10)20)12-6-13(9-19-8-12)15(16,17)18/h2-9H,1H3.
What are the key properties of 1-methyl-6-[5-(trifluoromethyl)-3-pyridinyl]indole?
1-methyl-6-[5-(trifluoromethyl)-3-pyridinyl]indole has a molecular weight of 276.26 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[5-(trifluoromethyl)-3-pyridinyl]indole is sourced from PubChem (CID 150729998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).