1-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenyl]indole

C17H13F3N2 — CID 155562371

IUPAC1-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenyl]indole
SMILESC=C(c1ccnc(C(F)(F)F)c1)c1ccc2c(ccn2C)c1
InChIInChI=1S/C17H13F3N2/c1-11(13-5-7-21-16(10-13)17(18,19)20)12-3-4-15-14(9-12)6-8-22(15)2/h3-10H,1H2,2H3
InChIKeyFWAWPLQFXLRGSR-UHFFFAOYSA-N
MW302.30 g/mol
LogP4.65
Rot. Bonds2

About 1-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenyl]indole

1-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenyl]indole (PubChem CID 155562371) has the molecular formula C17H13F3N2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenyl]indole.

Molecular Properties

Compound Name1-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenyl]indole
PubChem CID155562371
Molecular FormulaC17H13F3N2
Molecular Weight302.30 g/mol
Exact Mass302.10
IUPAC Name1-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenyl]indole
SMILESC=C(c1ccnc(C(F)(F)F)c1)c1ccc2c(ccn2C)c1
InChIInChI=1S/C17H13F3N2/c1-11(13-5-7-21-16(10-13)17(18,19)20)12-3-4-15-14(9-12)6-8-22(15)2/h3-10H,1H2,2H3
InChIKeyFWAWPLQFXLRGSR-UHFFFAOYSA-N
XLogP4.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenyl]indole?
The IUPAC name of 1-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenyl]indole (CID 155562371) is 1-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenyl]indole.
What is the SMILES notation for 1-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenyl]indole?
The canonical SMILES for 1-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenyl]indole is C=C(c1ccnc(C(F)(F)F)c1)c1ccc2c(ccn2C)c1.
What is the InChIKey of 1-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenyl]indole?
The InChIKey is FWAWPLQFXLRGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2/c1-11(13-5-7-21-16(10-13)17(18,19)20)12-3-4-15-14(9-12)6-8-22(15)2/h3-10H,1H2,2H3.
What are the key properties of 1-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenyl]indole?
1-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenyl]indole has a molecular weight of 302.30 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenyl]indole is sourced from PubChem (CID 155562371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).