2-fluoro-6-[(1-methylpyrazol-4-yl)amino]benzonitrile

C11H9FN4 — CID 78916028

IUPAC2-fluoro-6-[(1-methylpyrazol-4-yl)amino]benzonitrile
SMILESCn1cc(Nc2cccc(F)c2C#N)cn1
InChIInChI=1S/C11H9FN4/c1-16-7-8(6-14-16)15-11-4-2-3-10(12)9(11)5-13/h2-4,6-7,15H,1H3
InChIKeyQGECKAPEZDEWRQ-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.17
Rot. Bonds2

About 2-fluoro-6-[(1-methylpyrazol-4-yl)amino]benzonitrile

2-fluoro-6-[(1-methylpyrazol-4-yl)amino]benzonitrile (PubChem CID 78916028) has the molecular formula C11H9FN4 and a molecular weight of 216.22 g/mol. Its IUPAC name is 2-fluoro-6-[(1-methylpyrazol-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(1-methylpyrazol-4-yl)amino]benzonitrile
PubChem CID78916028
Molecular FormulaC11H9FN4
Molecular Weight216.22 g/mol
Exact Mass216.08
IUPAC Name2-fluoro-6-[(1-methylpyrazol-4-yl)amino]benzonitrile
SMILESCn1cc(Nc2cccc(F)c2C#N)cn1
InChIInChI=1S/C11H9FN4/c1-16-7-8(6-14-16)15-11-4-2-3-10(12)9(11)5-13/h2-4,6-7,15H,1H3
InChIKeyQGECKAPEZDEWRQ-UHFFFAOYSA-N
XLogP2.17
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(1-methylpyrazol-4-yl)amino]benzonitrile?
The IUPAC name of 2-fluoro-6-[(1-methylpyrazol-4-yl)amino]benzonitrile (CID 78916028) is 2-fluoro-6-[(1-methylpyrazol-4-yl)amino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(1-methylpyrazol-4-yl)amino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(1-methylpyrazol-4-yl)amino]benzonitrile is Cn1cc(Nc2cccc(F)c2C#N)cn1.
What is the InChIKey of 2-fluoro-6-[(1-methylpyrazol-4-yl)amino]benzonitrile?
The InChIKey is QGECKAPEZDEWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4/c1-16-7-8(6-14-16)15-11-4-2-3-10(12)9(11)5-13/h2-4,6-7,15H,1H3.
What are the key properties of 2-fluoro-6-[(1-methylpyrazol-4-yl)amino]benzonitrile?
2-fluoro-6-[(1-methylpyrazol-4-yl)amino]benzonitrile has a molecular weight of 216.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(1-methylpyrazol-4-yl)amino]benzonitrile is sourced from PubChem (CID 78916028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).