2-fluoro-6-(2-hydroxyethylamino)benzonitrile

C9H9FN2O — CID 2804365

IUPAC2-fluoro-6-(2-hydroxyethylamino)benzonitrile
SMILESN#Cc1c(F)cccc1NCCO
InChIInChI=1S/C9H9FN2O/c10-8-2-1-3-9(7(8)6-11)12-4-5-13/h1-3,12-13H,4-5H2
InChIKeyDFUUWPRNRKFSAI-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.10
Rot. Bonds3

About 2-fluoro-6-(2-hydroxyethylamino)benzonitrile

2-fluoro-6-(2-hydroxyethylamino)benzonitrile (PubChem CID 2804365) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-fluoro-6-(2-hydroxyethylamino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(2-hydroxyethylamino)benzonitrile
PubChem CID2804365
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name2-fluoro-6-(2-hydroxyethylamino)benzonitrile
SMILESN#Cc1c(F)cccc1NCCO
InChIInChI=1S/C9H9FN2O/c10-8-2-1-3-9(7(8)6-11)12-4-5-13/h1-3,12-13H,4-5H2
InChIKeyDFUUWPRNRKFSAI-UHFFFAOYSA-N
XLogP1.10
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-hydroxyethylamino)benzonitrile?
The IUPAC name of 2-fluoro-6-(2-hydroxyethylamino)benzonitrile (CID 2804365) is 2-fluoro-6-(2-hydroxyethylamino)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(2-hydroxyethylamino)benzonitrile?
The canonical SMILES for 2-fluoro-6-(2-hydroxyethylamino)benzonitrile is N#Cc1c(F)cccc1NCCO.
What is the InChIKey of 2-fluoro-6-(2-hydroxyethylamino)benzonitrile?
The InChIKey is DFUUWPRNRKFSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c10-8-2-1-3-9(7(8)6-11)12-4-5-13/h1-3,12-13H,4-5H2.
What are the key properties of 2-fluoro-6-(2-hydroxyethylamino)benzonitrile?
2-fluoro-6-(2-hydroxyethylamino)benzonitrile has a molecular weight of 180.18 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-hydroxyethylamino)benzonitrile is sourced from PubChem (CID 2804365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).