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

C15H11F3N2 — CID 71762495

IUPAC1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]indole
SMILESFC(F)(F)c1cncc(Cn2ccc3ccccc32)c1
InChIInChI=1S/C15H11F3N2/c16-15(17,18)13-7-11(8-19-9-13)10-20-6-5-12-3-1-2-4-14(12)20/h1-9H,10H2
InChIKeyWNHOOBGLPWVZPK-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.10
Rot. Bonds2

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

1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]indole (PubChem CID 71762495) has the molecular formula C15H11F3N2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]indole.

Molecular Properties

Compound Name1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]indole
PubChem CID71762495
Molecular FormulaC15H11F3N2
Molecular Weight276.26 g/mol
Exact Mass276.09
IUPAC Name1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]indole
SMILESFC(F)(F)c1cncc(Cn2ccc3ccccc32)c1
InChIInChI=1S/C15H11F3N2/c16-15(17,18)13-7-11(8-19-9-13)10-20-6-5-12-3-1-2-4-14(12)20/h1-9H,10H2
InChIKeyWNHOOBGLPWVZPK-UHFFFAOYSA-N
XLogP4.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trimethyl-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]silane
CID 141355979
1-benzyl-6-[4-(trifluoromethyl)phenyl]indole
CID 22032920
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine
CID 156503188
5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole
CID 116619723
1-[(1-methylpyrazol-4-yl)methyl]indole
CID 55238822
[4-(indol-1-ylmethyl)phenyl]methanamine
CID 43134818
1-[(3-bromophenyl)methyl]indole
CID 22256844
1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine
CID 66907796
1-[[3,5-bis(indol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]indole
CID 102177432
[4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine
CID 83968569
6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 116546655
1-(pyrimidin-2-ylmethyl)indole
CID 63810960

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]indole?
The IUPAC name of 1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]indole (CID 71762495) is 1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]indole.
What is the SMILES notation for 1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]indole?
The canonical SMILES for 1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]indole is FC(F)(F)c1cncc(Cn2ccc3ccccc32)c1.
What is the InChIKey of 1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]indole?
The InChIKey is WNHOOBGLPWVZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2/c16-15(17,18)13-7-11(8-19-9-13)10-20-6-5-12-3-1-2-4-14(12)20/h1-9H,10H2.
What are the key properties of 1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]indole?
1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]indole has a molecular weight of 276.26 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]indole is sourced from PubChem (CID 71762495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).