6,7-dichloro-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile

C11H5Cl2F3N2 — CID 15335330

IUPAC6,7-dichloro-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile
SMILESCn1c(C(F)(F)F)c(C#N)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C11H5Cl2F3N2/c1-18-9-5(2-3-7(12)8(9)13)6(4-17)10(18)11(14,15)16/h2-3H,1H3
InChIKeyBNJQZCPIKGQBIY-UHFFFAOYSA-N
MW293.08 g/mol
LogP4.38
Rot. Bonds

About 6,7-dichloro-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile

6,7-dichloro-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile (PubChem CID 15335330) has the molecular formula C11H5Cl2F3N2 and a molecular weight of 293.08 g/mol. Its IUPAC name is 6,7-dichloro-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile.

Molecular Properties

Compound Name6,7-dichloro-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile
PubChem CID15335330
Molecular FormulaC11H5Cl2F3N2
Molecular Weight293.08 g/mol
Exact Mass291.98
IUPAC Name6,7-dichloro-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile
SMILESCn1c(C(F)(F)F)c(C#N)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C11H5Cl2F3N2/c1-18-9-5(2-3-7(12)8(9)13)6(4-17)10(18)11(14,15)16/h2-3H,1H3
InChIKeyBNJQZCPIKGQBIY-UHFFFAOYSA-N
XLogP4.38
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.08
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile?
The IUPAC name of 6,7-dichloro-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile (CID 15335330) is 6,7-dichloro-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile.
What is the SMILES notation for 6,7-dichloro-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile?
The canonical SMILES for 6,7-dichloro-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile is Cn1c(C(F)(F)F)c(C#N)c2ccc(Cl)c(Cl)c21.
What is the InChIKey of 6,7-dichloro-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile?
The InChIKey is BNJQZCPIKGQBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F3N2/c1-18-9-5(2-3-7(12)8(9)13)6(4-17)10(18)11(14,15)16/h2-3H,1H3.
What are the key properties of 6,7-dichloro-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile?
6,7-dichloro-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile has a molecular weight of 293.08 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile is sourced from PubChem (CID 15335330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).