1-amino-5-fluoroindole-3-carbonitrile

C9H6FN3 — CID 68558682

IUPAC1-amino-5-fluoroindole-3-carbonitrile
SMILESN#Cc1cn(N)c2ccc(F)cc12
InChIInChI=1S/C9H6FN3/c10-7-1-2-9-8(3-7)6(4-11)5-13(9)12/h1-3,5H,12H2
InChIKeyZEYKUDHQOJPWMC-UHFFFAOYSA-N
MW175.17 g/mol
LogP1.37
Rot. Bonds

About 1-amino-5-fluoroindole-3-carbonitrile

1-amino-5-fluoroindole-3-carbonitrile (PubChem CID 68558682) has the molecular formula C9H6FN3 and a molecular weight of 175.17 g/mol. Its IUPAC name is 1-amino-5-fluoroindole-3-carbonitrile.

Molecular Properties

Compound Name1-amino-5-fluoroindole-3-carbonitrile
PubChem CID68558682
Molecular FormulaC9H6FN3
Molecular Weight175.17 g/mol
Exact Mass175.05
IUPAC Name1-amino-5-fluoroindole-3-carbonitrile
SMILESN#Cc1cn(N)c2ccc(F)cc12
InChIInChI=1S/C9H6FN3/c10-7-1-2-9-8(3-7)6(4-11)5-13(9)12/h1-3,5H,12H2
InChIKeyZEYKUDHQOJPWMC-UHFFFAOYSA-N
XLogP1.37
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-amino-5-fluoroindole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-fluoroindole-3-carbonitrile?
The IUPAC name of 1-amino-5-fluoroindole-3-carbonitrile (CID 68558682) is 1-amino-5-fluoroindole-3-carbonitrile.
What is the SMILES notation for 1-amino-5-fluoroindole-3-carbonitrile?
The canonical SMILES for 1-amino-5-fluoroindole-3-carbonitrile is N#Cc1cn(N)c2ccc(F)cc12.
What is the InChIKey of 1-amino-5-fluoroindole-3-carbonitrile?
The InChIKey is ZEYKUDHQOJPWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3/c10-7-1-2-9-8(3-7)6(4-11)5-13(9)12/h1-3,5H,12H2.
What are the key properties of 1-amino-5-fluoroindole-3-carbonitrile?
1-amino-5-fluoroindole-3-carbonitrile has a molecular weight of 175.17 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-fluoroindole-3-carbonitrile is sourced from PubChem (CID 68558682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).