3-amino-2-fluoro-6-methylbenzonitrile

C8H7FN2 — CID 83410294

IUPAC3-amino-2-fluoro-6-methylbenzonitrile
SMILESCc1ccc(N)c(F)c1C#N
InChIInChI=1S/C8H7FN2/c1-5-2-3-7(11)8(9)6(5)4-10/h2-3H,11H2,1H3
InChIKeyXMZNSKISSBNECS-UHFFFAOYSA-N
MW150.16 g/mol
LogP1.59
Rot. Bonds

About 3-amino-2-fluoro-6-methylbenzonitrile

3-amino-2-fluoro-6-methylbenzonitrile (PubChem CID 83410294) has the molecular formula C8H7FN2 and a molecular weight of 150.16 g/mol. Its IUPAC name is 3-amino-2-fluoro-6-methylbenzonitrile.

Molecular Properties

Compound Name3-amino-2-fluoro-6-methylbenzonitrile
PubChem CID83410294
Molecular FormulaC8H7FN2
Molecular Weight150.16 g/mol
Exact Mass150.06
IUPAC Name3-amino-2-fluoro-6-methylbenzonitrile
SMILESCc1ccc(N)c(F)c1C#N
InChIInChI=1S/C8H7FN2/c1-5-2-3-7(11)8(9)6(5)4-10/h2-3H,11H2,1H3
InChIKeyXMZNSKISSBNECS-UHFFFAOYSA-N
XLogP1.59
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 51.59
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 3-amino-2-fluoro-6-methylbenzonitrile?
The IUPAC name of 3-amino-2-fluoro-6-methylbenzonitrile (CID 83410294) is 3-amino-2-fluoro-6-methylbenzonitrile.
What is the SMILES notation for 3-amino-2-fluoro-6-methylbenzonitrile?
The canonical SMILES for 3-amino-2-fluoro-6-methylbenzonitrile is Cc1ccc(N)c(F)c1C#N.
What is the InChIKey of 3-amino-2-fluoro-6-methylbenzonitrile?
The InChIKey is XMZNSKISSBNECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2/c1-5-2-3-7(11)8(9)6(5)4-10/h2-3H,11H2,1H3.
What are the key properties of 3-amino-2-fluoro-6-methylbenzonitrile?
3-amino-2-fluoro-6-methylbenzonitrile has a molecular weight of 150.16 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-fluoro-6-methylbenzonitrile is sourced from PubChem (CID 83410294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).