4-chloro-2-(difluoromethyl)-1H-indole-5-carbonitrile

C10H5ClF2N2 — CID 24985632

IUPAC4-chloro-2-(difluoromethyl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(C(F)F)cc2c1Cl
InChIInChI=1S/C10H5ClF2N2/c11-9-5(4-14)1-2-7-6(9)3-8(15-7)10(12)13/h1-3,10,15H
InChIKeyDUAKROJDYCZHEU-UHFFFAOYSA-N
MW226.61 g/mol
LogP3.63
Rot. Bonds1

About 4-chloro-2-(difluoromethyl)-1H-indole-5-carbonitrile

4-chloro-2-(difluoromethyl)-1H-indole-5-carbonitrile (PubChem CID 24985632) has the molecular formula C10H5ClF2N2 and a molecular weight of 226.61 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-1H-indole-5-carbonitrile
PubChem CID24985632
Molecular FormulaC10H5ClF2N2
Molecular Weight226.61 g/mol
Exact Mass226.01
IUPAC Name4-chloro-2-(difluoromethyl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(C(F)F)cc2c1Cl
InChIInChI=1S/C10H5ClF2N2/c11-9-5(4-14)1-2-7-6(9)3-8(15-7)10(12)13/h1-3,10,15H
InChIKeyDUAKROJDYCZHEU-UHFFFAOYSA-N
XLogP3.63
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.61
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-1H-indole-5-carbonitrile?
The IUPAC name of 4-chloro-2-(difluoromethyl)-1H-indole-5-carbonitrile (CID 24985632) is 4-chloro-2-(difluoromethyl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-1H-indole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]c(C(F)F)cc2c1Cl.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-1H-indole-5-carbonitrile?
The InChIKey is DUAKROJDYCZHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2N2/c11-9-5(4-14)1-2-7-6(9)3-8(15-7)10(12)13/h1-3,10,15H.
What are the key properties of 4-chloro-2-(difluoromethyl)-1H-indole-5-carbonitrile?
4-chloro-2-(difluoromethyl)-1H-indole-5-carbonitrile has a molecular weight of 226.61 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 24985632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).