2-amino-5-(trifluoromethyl)-1H-indole-3-carbonitrile

C10H6F3N3 — CID 156876850

IUPAC2-amino-5-(trifluoromethyl)-1H-indole-3-carbonitrile
SMILESN#Cc1c(N)[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C10H6F3N3/c11-10(12,13)5-1-2-8-6(3-5)7(4-14)9(15)16-8/h1-3,16H,15H2
InChIKeyKWBHNEKSWAMMKQ-UHFFFAOYSA-N
MW225.17 g/mol
LogP2.64
Rot. Bonds

About 2-amino-5-(trifluoromethyl)-1H-indole-3-carbonitrile

2-amino-5-(trifluoromethyl)-1H-indole-3-carbonitrile (PubChem CID 156876850) has the molecular formula C10H6F3N3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 2-amino-5-(trifluoromethyl)-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(trifluoromethyl)-1H-indole-3-carbonitrile
PubChem CID156876850
Molecular FormulaC10H6F3N3
Molecular Weight225.17 g/mol
Exact Mass225.05
IUPAC Name2-amino-5-(trifluoromethyl)-1H-indole-3-carbonitrile
SMILESN#Cc1c(N)[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C10H6F3N3/c11-10(12,13)5-1-2-8-6(3-5)7(4-14)9(15)16-8/h1-3,16H,15H2
InChIKeyKWBHNEKSWAMMKQ-UHFFFAOYSA-N
XLogP2.64
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-1H-indol-3-yl)acetonitrile
CID 2802388
3-(trifluoromethyl)-9H-carbazole
CID 42611896
2-Amino-6-(3-fluorostyryl)-1H-indole-3-carbonitrile
CID 137319705
2-[[5-butyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]methylidene]propanedinitrile
CID 16101435
2-[[5-pentyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]methylidene]propanedinitrile
CID 16101438
2-[[5-hexyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]methylidene]propanedinitrile
CID 16101439
2-Phenyl-1H-indole-5-carbonitrile
CID 10846478
1H-indole-2-carbonitrile
CID 3787599
2,3-dipropyl-1H-indole-5-carbonitrile
CID 24792655
2-Benzyl-1H-indole-5-carboxamidine
CID 10060627
2-Amino-6-[5-[(dimethylamino)methyl]-2-fluorophenyl]-1H-indole-3-carbonitrile
CID 155969802
2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile
CID 34175971

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(trifluoromethyl)-1H-indole-3-carbonitrile?
The IUPAC name of 2-amino-5-(trifluoromethyl)-1H-indole-3-carbonitrile (CID 156876850) is 2-amino-5-(trifluoromethyl)-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-amino-5-(trifluoromethyl)-1H-indole-3-carbonitrile?
The canonical SMILES for 2-amino-5-(trifluoromethyl)-1H-indole-3-carbonitrile is N#Cc1c(N)[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2-amino-5-(trifluoromethyl)-1H-indole-3-carbonitrile?
The InChIKey is KWBHNEKSWAMMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3/c11-10(12,13)5-1-2-8-6(3-5)7(4-14)9(15)16-8/h1-3,16H,15H2.
What are the key properties of 2-amino-5-(trifluoromethyl)-1H-indole-3-carbonitrile?
2-amino-5-(trifluoromethyl)-1H-indole-3-carbonitrile has a molecular weight of 225.17 g/mol, XLogP of 2.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(trifluoromethyl)-1H-indole-3-carbonitrile is sourced from PubChem (CID 156876850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).