3-fluoro-N-methyl-3H-pyridin-6-imine

C6H7FN2 — CID 146674664

IUPAC3-fluoro-N-methyl-3H-pyridin-6-imine
SMILESC/N=C1\C=CC(F)C=N1
InChIInChI=1S/C6H7FN2/c1-8-6-3-2-5(7)4-9-6/h2-5H,1H3/b8-6+
InChIKeyIMKNRTMMHSCTAO-SOFGYWHQSA-N
MW126.13 g/mol
LogP0.99
Rot. Bonds

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

3-fluoro-N-methyl-3H-pyridin-6-imine (PubChem CID 146674664) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is 3-fluoro-N-methyl-3H-pyridin-6-imine.

Molecular Properties

Compound Name3-fluoro-N-methyl-3H-pyridin-6-imine
PubChem CID146674664
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name3-fluoro-N-methyl-3H-pyridin-6-imine
SMILESC/N=C1\C=CC(F)C=N1
InChIInChI=1S/C6H7FN2/c1-8-6-3-2-5(7)4-9-6/h2-5H,1H3/b8-6+
InChIKeyIMKNRTMMHSCTAO-SOFGYWHQSA-N
XLogP0.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3H-Imidazo[4,5-b]pyridine
CID 429754
(7aR)-5-fluoro-7aH-imidazo[4,5-b]pyridine
CID 92282124
(7aS)-5-fluoro-7aH-imidazo[4,5-b]pyridine
CID 92282125
3-fluoro-3H-pyridin-6-imine
CID 146674689
(E)-(3-fluoro-3H-pyridin-6-ylidene)hydrazine
CID 156592463
2-methyl-7aH-imidazo[4,5-b]pyridine
CID 89349292
3H-pyridin-3-ylium-6-ylideneazanide
CID 102589582
N,4-dimethyl-3H-pyridin-6-imine
CID 123755468

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-3H-pyridin-6-imine?
The IUPAC name of 3-fluoro-N-methyl-3H-pyridin-6-imine (CID 146674664) is 3-fluoro-N-methyl-3H-pyridin-6-imine.
What is the SMILES notation for 3-fluoro-N-methyl-3H-pyridin-6-imine?
The canonical SMILES for 3-fluoro-N-methyl-3H-pyridin-6-imine is C/N=C1\C=CC(F)C=N1.
What is the InChIKey of 3-fluoro-N-methyl-3H-pyridin-6-imine?
The InChIKey is IMKNRTMMHSCTAO-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H7FN2/c1-8-6-3-2-5(7)4-9-6/h2-5H,1H3/b8-6+.
What are the key properties of 3-fluoro-N-methyl-3H-pyridin-6-imine?
3-fluoro-N-methyl-3H-pyridin-6-imine has a molecular weight of 126.13 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-3H-pyridin-6-imine is sourced from PubChem (CID 146674664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).