5-chloro-6-methyl-2-(trifluoromethyl)-1H-indole-3-carbonitrile

C11H6ClF3N2 — CID 162547026

IUPAC5-chloro-6-methyl-2-(trifluoromethyl)-1H-indole-3-carbonitrile
SMILESCc1cc2[nH]c(C(F)(F)F)c(C#N)c2cc1Cl
InChIInChI=1S/C11H6ClF3N2/c1-5-2-9-6(3-8(5)12)7(4-16)10(17-9)11(13,14)15/h2-3,17H,1H3
InChIKeyFQTOWUXDRGPWQU-UHFFFAOYSA-N
MW258.63 g/mol
LogP4.02
Rot. Bonds

About 5-chloro-6-methyl-2-(trifluoromethyl)-1H-indole-3-carbonitrile

5-chloro-6-methyl-2-(trifluoromethyl)-1H-indole-3-carbonitrile (PubChem CID 162547026) has the molecular formula C11H6ClF3N2 and a molecular weight of 258.63 g/mol. Its IUPAC name is 5-chloro-6-methyl-2-(trifluoromethyl)-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-methyl-2-(trifluoromethyl)-1H-indole-3-carbonitrile
PubChem CID162547026
Molecular FormulaC11H6ClF3N2
Molecular Weight258.63 g/mol
Exact Mass258.02
IUPAC Name5-chloro-6-methyl-2-(trifluoromethyl)-1H-indole-3-carbonitrile
SMILESCc1cc2[nH]c(C(F)(F)F)c(C#N)c2cc1Cl
InChIInChI=1S/C11H6ClF3N2/c1-5-2-9-6(3-8(5)12)7(4-16)10(17-9)11(13,14)15/h2-3,17H,1H3
InChIKeyFQTOWUXDRGPWQU-UHFFFAOYSA-N
XLogP4.02
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.63
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5,6-trichloro-1H-indole-3-carbonitrile
CID 82269544
6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
CID 107622842
6-chloro-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 162574758
6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile
CID 134987165
5-chloro-2-fluoro-4-methylbenzonitrile;ethane
CID 144708664
2-amino-5-(trifluoromethyl)-1H-indole-3-carbonitrile
CID 156876850
2-[chloro(difluoro)methyl]-6-methoxy-4-oxo-1H-quinoline-3-carbonitrile
CID 949523
4-chloro-2,3-dimethoxy-6-methylbenzonitrile
CID 117302239
6-chloro-2-methyl-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 155463798
2-(4-chlorophenyl)-4,5-bis(trifluoromethyl)-1H-pyrrole-3-carbonitrile
CID 11024245
4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586080
2-amino-5,6-dimethoxy-1H-indole-3-carbonitrile
CID 156876776

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-2-(trifluoromethyl)-1H-indole-3-carbonitrile?
The IUPAC name of 5-chloro-6-methyl-2-(trifluoromethyl)-1H-indole-3-carbonitrile (CID 162547026) is 5-chloro-6-methyl-2-(trifluoromethyl)-1H-indole-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-methyl-2-(trifluoromethyl)-1H-indole-3-carbonitrile?
The canonical SMILES for 5-chloro-6-methyl-2-(trifluoromethyl)-1H-indole-3-carbonitrile is Cc1cc2[nH]c(C(F)(F)F)c(C#N)c2cc1Cl.
What is the InChIKey of 5-chloro-6-methyl-2-(trifluoromethyl)-1H-indole-3-carbonitrile?
The InChIKey is FQTOWUXDRGPWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2/c1-5-2-9-6(3-8(5)12)7(4-16)10(17-9)11(13,14)15/h2-3,17H,1H3.
What are the key properties of 5-chloro-6-methyl-2-(trifluoromethyl)-1H-indole-3-carbonitrile?
5-chloro-6-methyl-2-(trifluoromethyl)-1H-indole-3-carbonitrile has a molecular weight of 258.63 g/mol, XLogP of 4.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-2-(trifluoromethyl)-1H-indole-3-carbonitrile is sourced from PubChem (CID 162547026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).