1-(2-fluorobenzoyl)indole-3-carbonitrile

C16H9FN2O — CID 82122318

IUPAC1-(2-fluorobenzoyl)indole-3-carbonitrile
SMILESN#Cc1cn(C(=O)c2ccccc2F)c2ccccc12
InChIInChI=1S/C16H9FN2O/c17-14-7-3-1-6-13(14)16(20)19-10-11(9-18)12-5-2-4-8-15(12)19/h1-8,10H
InChIKeyCVXQEDLLXMIFQR-UHFFFAOYSA-N
MW264.26 g/mol
LogP3.34
Rot. Bonds1

About 1-(2-fluorobenzoyl)indole-3-carbonitrile

1-(2-fluorobenzoyl)indole-3-carbonitrile (PubChem CID 82122318) has the molecular formula C16H9FN2O and a molecular weight of 264.26 g/mol. Its IUPAC name is 1-(2-fluorobenzoyl)indole-3-carbonitrile.

Molecular Properties

Compound Name1-(2-fluorobenzoyl)indole-3-carbonitrile
PubChem CID82122318
Molecular FormulaC16H9FN2O
Molecular Weight264.26 g/mol
Exact Mass264.07
IUPAC Name1-(2-fluorobenzoyl)indole-3-carbonitrile
SMILESN#Cc1cn(C(=O)c2ccccc2F)c2ccccc12
InChIInChI=1S/C16H9FN2O/c17-14-7-3-1-6-13(14)16(20)19-10-11(9-18)12-5-2-4-8-15(12)19/h1-8,10H
InChIKeyCVXQEDLLXMIFQR-UHFFFAOYSA-N
XLogP3.34
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobenzoyl)indole-3-carbonitrile?
The IUPAC name of 1-(2-fluorobenzoyl)indole-3-carbonitrile (CID 82122318) is 1-(2-fluorobenzoyl)indole-3-carbonitrile.
What is the SMILES notation for 1-(2-fluorobenzoyl)indole-3-carbonitrile?
The canonical SMILES for 1-(2-fluorobenzoyl)indole-3-carbonitrile is N#Cc1cn(C(=O)c2ccccc2F)c2ccccc12.
What is the InChIKey of 1-(2-fluorobenzoyl)indole-3-carbonitrile?
The InChIKey is CVXQEDLLXMIFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN2O/c17-14-7-3-1-6-13(14)16(20)19-10-11(9-18)12-5-2-4-8-15(12)19/h1-8,10H.
What are the key properties of 1-(2-fluorobenzoyl)indole-3-carbonitrile?
1-(2-fluorobenzoyl)indole-3-carbonitrile has a molecular weight of 264.26 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobenzoyl)indole-3-carbonitrile is sourced from PubChem (CID 82122318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).