3-fluoro-3H-pyridin-6-imine

C5H5FN2 — CID 146674689

IUPAC3-fluoro-3H-pyridin-6-imine
SMILES[H]/N=C1\C=CC(F)C=N1
InChIInChI=1S/C5H5FN2/c6-4-1-2-5(7)8-3-4/h1-4,7H/b7-5+
InChIKeyNECXOZGXRBYGJZ-FNORWQNLSA-N
MW112.11 g/mol
LogP0.94
Rot. Bonds

About 3-fluoro-3H-pyridin-6-imine

3-fluoro-3H-pyridin-6-imine (PubChem CID 146674689) has the molecular formula C5H5FN2 and a molecular weight of 112.11 g/mol. Its IUPAC name is 3-fluoro-3H-pyridin-6-imine.

Molecular Properties

Compound Name3-fluoro-3H-pyridin-6-imine
PubChem CID146674689
Molecular FormulaC5H5FN2
Molecular Weight112.11 g/mol
Exact Mass112.04
IUPAC Name3-fluoro-3H-pyridin-6-imine
SMILES[H]/N=C1\C=CC(F)C=N1
InChIInChI=1S/C5H5FN2/c6-4-1-2-5(7)8-3-4/h1-4,7H/b7-5+
InChIKeyNECXOZGXRBYGJZ-FNORWQNLSA-N
XLogP0.94
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.11
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bis(imino)pyridine
CID 21972427
2-Fluoro-2,3-dihydropyridin-6-amine
CID 139521819
3-Fluoro-2,3-dihydropyridin-6-amine
CID 148033764
3-fluoro-N-methyl-3H-pyridin-6-imine
CID 146674664
5-fluoro-2-imino-3H-pyridine-3-carbonitrile
CID 146674679
(E)-(3-fluoro-3H-pyridin-6-ylidene)hydrazine
CID 156592463
Iron(2+);pyridine-2,3-diimine
CID 22134474
Cobalt(2+);pyridine-2,3-diimine
CID 22244856
3H-pyridin-2-imine
CID 51030079
Pyridine-2,5-diimine
CID 54293695
Iron;pyridine-2,3-diimine
CID 66847494
Cobalt;pyridine-2,3-diimine
CID 69583641

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3H-pyridin-6-imine?
The IUPAC name of 3-fluoro-3H-pyridin-6-imine (CID 146674689) is 3-fluoro-3H-pyridin-6-imine.
What is the SMILES notation for 3-fluoro-3H-pyridin-6-imine?
The canonical SMILES for 3-fluoro-3H-pyridin-6-imine is [H]/N=C1\C=CC(F)C=N1.
What is the InChIKey of 3-fluoro-3H-pyridin-6-imine?
The InChIKey is NECXOZGXRBYGJZ-FNORWQNLSA-N. The full InChI is InChI=1S/C5H5FN2/c6-4-1-2-5(7)8-3-4/h1-4,7H/b7-5+.
What are the key properties of 3-fluoro-3H-pyridin-6-imine?
3-fluoro-3H-pyridin-6-imine has a molecular weight of 112.11 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3H-pyridin-6-imine is sourced from PubChem (CID 146674689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).