5-fluoro-4-hydroxy-1H-indole-2-carbonitrile

C9H5FN2O — CID 131591641

IUPAC5-fluoro-4-hydroxy-1H-indole-2-carbonitrile
SMILESN#Cc1cc2c(O)c(F)ccc2[nH]1
InChIInChI=1S/C9H5FN2O/c10-7-1-2-8-6(9(7)13)3-5(4-11)12-8/h1-3,12-13H
InChIKeyNWFWVNSJIONQNX-UHFFFAOYSA-N
MW176.15 g/mol
LogP1.88
Rot. Bonds

About 5-fluoro-4-hydroxy-1H-indole-2-carbonitrile

5-fluoro-4-hydroxy-1H-indole-2-carbonitrile (PubChem CID 131591641) has the molecular formula C9H5FN2O and a molecular weight of 176.15 g/mol. Its IUPAC name is 5-fluoro-4-hydroxy-1H-indole-2-carbonitrile.

Molecular Properties

Compound Name5-fluoro-4-hydroxy-1H-indole-2-carbonitrile
PubChem CID131591641
Molecular FormulaC9H5FN2O
Molecular Weight176.15 g/mol
Exact Mass176.04
IUPAC Name5-fluoro-4-hydroxy-1H-indole-2-carbonitrile
SMILESN#Cc1cc2c(O)c(F)ccc2[nH]1
InChIInChI=1S/C9H5FN2O/c10-7-1-2-8-6(9(7)13)3-5(4-11)12-8/h1-3,12-13H
InChIKeyNWFWVNSJIONQNX-UHFFFAOYSA-N
XLogP1.88
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-hydroxy-1H-indole-2-carbonitrile?
The IUPAC name of 5-fluoro-4-hydroxy-1H-indole-2-carbonitrile (CID 131591641) is 5-fluoro-4-hydroxy-1H-indole-2-carbonitrile.
What is the SMILES notation for 5-fluoro-4-hydroxy-1H-indole-2-carbonitrile?
The canonical SMILES for 5-fluoro-4-hydroxy-1H-indole-2-carbonitrile is N#Cc1cc2c(O)c(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-4-hydroxy-1H-indole-2-carbonitrile?
The InChIKey is NWFWVNSJIONQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O/c10-7-1-2-8-6(9(7)13)3-5(4-11)12-8/h1-3,12-13H.
What are the key properties of 5-fluoro-4-hydroxy-1H-indole-2-carbonitrile?
5-fluoro-4-hydroxy-1H-indole-2-carbonitrile has a molecular weight of 176.15 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hydroxy-1H-indole-2-carbonitrile is sourced from PubChem (CID 131591641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).