2-amino-6-fluorobenzonitrile

C7H5FN2 — CID 522659

IUPAC2-amino-6-fluorobenzonitrile
SMILESN#Cc1c(N)cccc1F
InChIInChI=1S/C7H5FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2
InChIKeyIQUNZGOZUJITBJ-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.28
Rot. Bonds

About 2-amino-6-fluorobenzonitrile

2-amino-6-fluorobenzonitrile (PubChem CID 522659) has the molecular formula C7H5FN2 and a molecular weight of 136.13 g/mol. Its IUPAC name is 2-amino-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-amino-6-fluorobenzonitrile
PubChem CID522659
Molecular FormulaC7H5FN2
Molecular Weight136.13 g/mol
Exact Mass136.04
IUPAC Name2-amino-6-fluorobenzonitrile
SMILESN#Cc1c(N)cccc1F
InChIInChI=1S/C7H5FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2
InChIKeyIQUNZGOZUJITBJ-UHFFFAOYSA-N
XLogP1.28
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluorobenzonitrile?
The IUPAC name of 2-amino-6-fluorobenzonitrile (CID 522659) is 2-amino-6-fluorobenzonitrile.
What is the SMILES notation for 2-amino-6-fluorobenzonitrile?
The canonical SMILES for 2-amino-6-fluorobenzonitrile is N#Cc1c(N)cccc1F.
What is the InChIKey of 2-amino-6-fluorobenzonitrile?
The InChIKey is IQUNZGOZUJITBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2.
What are the key properties of 2-amino-6-fluorobenzonitrile?
2-amino-6-fluorobenzonitrile has a molecular weight of 136.13 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluorobenzonitrile is sourced from PubChem (CID 522659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).