6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile

C22H14F3N3 — CID 118427625

IUPAC6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)n1
InChIInChI=1S/C22H14F3N3/c23-22(24,25)18-7-4-15(5-8-18)14-28-11-10-17-12-16(6-9-21(17)28)20-3-1-2-19(13-26)27-20/h1-12H,14H2
InChIKeyDHLQVZBHLGWVIQ-UHFFFAOYSA-N
MW377.37 g/mol
LogP5.64
Rot. Bonds3

About 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile

6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile (PubChem CID 118427625) has the molecular formula C22H14F3N3 and a molecular weight of 377.37 g/mol. Its IUPAC name is 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile
PubChem CID118427625
Molecular FormulaC22H14F3N3
Molecular Weight377.37 g/mol
Exact Mass377.11
IUPAC Name6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)n1
InChIInChI=1S/C22H14F3N3/c23-22(24,25)18-7-4-15(5-8-18)14-28-11-10-17-12-16(6-9-21(17)28)20-3-1-2-19(13-26)27-20/h1-12H,14H2
InChIKeyDHLQVZBHLGWVIQ-UHFFFAOYSA-N
XLogP5.64
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.37
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile
CID 118427632
4-[(1R)-1,2-dihydroxyethyl]-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile
CID 118414124
[4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine
CID 83968569
5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole
CID 164627550
1-benzyl-6-[4-(trifluoromethyl)phenyl]indole
CID 22032920
1-[(4-tert-butylphenyl)methyl]-5-(3-methoxyphenyl)indole
CID 22032965
6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 116546655
5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole
CID 116619723
1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole
CID 11292068
1-[(3,4-dichlorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]indole
CID 141006265
6-[[4-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonitrile
CID 122476956
4-[(5-fluoroindol-1-yl)methyl]pyridine-2-carbonitrile
CID 63882015

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile (CID 118427625) is 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile is N#Cc1cccc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)n1.
What is the InChIKey of 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile?
The InChIKey is DHLQVZBHLGWVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3/c23-22(24,25)18-7-4-15(5-8-18)14-28-11-10-17-12-16(6-9-21(17)28)20-3-1-2-19(13-26)27-20/h1-12H,14H2.
What are the key properties of 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile?
6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile has a molecular weight of 377.37 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 118427625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).