5-fluoro-2-imino-3H-pyridine-3-carbonitrile

C6H4FN3 — CID 146674679

IUPAC5-fluoro-2-imino-3H-pyridine-3-carbonitrile
SMILES[H]/N=C1\N=CC(F)=CC1C#N
InChIInChI=1S/C6H4FN3/c7-5-1-4(2-8)6(9)10-3-5/h1,3-4,9H/b9-6-
InChIKeyVGABLXVFMJFFRR-TWGQIWQCSA-N
MW137.12 g/mol
LogP1.04
Rot. Bonds

About 5-fluoro-2-imino-3H-pyridine-3-carbonitrile

5-fluoro-2-imino-3H-pyridine-3-carbonitrile (PubChem CID 146674679) has the molecular formula C6H4FN3 and a molecular weight of 137.12 g/mol. Its IUPAC name is 5-fluoro-2-imino-3H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-2-imino-3H-pyridine-3-carbonitrile
PubChem CID146674679
Molecular FormulaC6H4FN3
Molecular Weight137.12 g/mol
Exact Mass137.04
IUPAC Name5-fluoro-2-imino-3H-pyridine-3-carbonitrile
SMILES[H]/N=C1\N=CC(F)=CC1C#N
InChIInChI=1S/C6H4FN3/c7-5-1-4(2-8)6(9)10-3-5/h1,3-4,9H/b9-6-
InChIKeyVGABLXVFMJFFRR-TWGQIWQCSA-N
XLogP1.04
TPSA60.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.12
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-imino-3H-pyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-2-imino-3H-pyridine-3-carbonitrile (CID 146674679) is 5-fluoro-2-imino-3H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-2-imino-3H-pyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-2-imino-3H-pyridine-3-carbonitrile is [H]/N=C1\N=CC(F)=CC1C#N.
What is the InChIKey of 5-fluoro-2-imino-3H-pyridine-3-carbonitrile?
The InChIKey is VGABLXVFMJFFRR-TWGQIWQCSA-N. The full InChI is InChI=1S/C6H4FN3/c7-5-1-4(2-8)6(9)10-3-5/h1,3-4,9H/b9-6-.
What are the key properties of 5-fluoro-2-imino-3H-pyridine-3-carbonitrile?
5-fluoro-2-imino-3H-pyridine-3-carbonitrile has a molecular weight of 137.12 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-imino-3H-pyridine-3-carbonitrile is sourced from PubChem (CID 146674679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).