3-chloro-5-fluoro-1H-indole-2-carbonitrile

C9H4ClFN2 — CID 67516423

IUPAC3-chloro-5-fluoro-1H-indole-2-carbonitrile
SMILESN#Cc1[nH]c2ccc(F)cc2c1Cl
InChIInChI=1S/C9H4ClFN2/c10-9-6-3-5(11)1-2-7(6)13-8(9)4-12/h1-3,13H
InChIKeyJSBPYWOSSXQAGB-UHFFFAOYSA-N
MW194.60 g/mol
LogP2.83
Rot. Bonds

About 3-chloro-5-fluoro-1H-indole-2-carbonitrile

3-chloro-5-fluoro-1H-indole-2-carbonitrile (PubChem CID 67516423) has the molecular formula C9H4ClFN2 and a molecular weight of 194.60 g/mol. Its IUPAC name is 3-chloro-5-fluoro-1H-indole-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-fluoro-1H-indole-2-carbonitrile
PubChem CID67516423
Molecular FormulaC9H4ClFN2
Molecular Weight194.60 g/mol
Exact Mass194.00
IUPAC Name3-chloro-5-fluoro-1H-indole-2-carbonitrile
SMILESN#Cc1[nH]c2ccc(F)cc2c1Cl
InChIInChI=1S/C9H4ClFN2/c10-9-6-3-5(11)1-2-7(6)13-8(9)4-12/h1-3,13H
InChIKeyJSBPYWOSSXQAGB-UHFFFAOYSA-N
XLogP2.83
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.60
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-1H-indole-2-carbonitrile?
The IUPAC name of 3-chloro-5-fluoro-1H-indole-2-carbonitrile (CID 67516423) is 3-chloro-5-fluoro-1H-indole-2-carbonitrile.
What is the SMILES notation for 3-chloro-5-fluoro-1H-indole-2-carbonitrile?
The canonical SMILES for 3-chloro-5-fluoro-1H-indole-2-carbonitrile is N#Cc1[nH]c2ccc(F)cc2c1Cl.
What is the InChIKey of 3-chloro-5-fluoro-1H-indole-2-carbonitrile?
The InChIKey is JSBPYWOSSXQAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClFN2/c10-9-6-3-5(11)1-2-7(6)13-8(9)4-12/h1-3,13H.
What are the key properties of 3-chloro-5-fluoro-1H-indole-2-carbonitrile?
3-chloro-5-fluoro-1H-indole-2-carbonitrile has a molecular weight of 194.60 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-1H-indole-2-carbonitrile is sourced from PubChem (CID 67516423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).