3-fluoro-N-methyl-2H-pyridin-5-imine

C6H7FN2 — CID 123433010

IUPAC3-fluoro-N-methyl-2H-pyridin-5-imine
SMILESC/N=C1\C=NCC(F)=C1
InChIInChI=1S/C6H7FN2/c1-8-6-2-5(7)3-9-4-6/h2,4H,3H2,1H3/b8-6-
InChIKeyUQEXCJXHJOKNIM-VURMDHGXSA-N
MW126.13 g/mol
LogP1.00
Rot. Bonds

About 3-fluoro-N-methyl-2H-pyridin-5-imine

3-fluoro-N-methyl-2H-pyridin-5-imine (PubChem CID 123433010) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is 3-fluoro-N-methyl-2H-pyridin-5-imine.

Molecular Properties

Compound Name3-fluoro-N-methyl-2H-pyridin-5-imine
PubChem CID123433010
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name3-fluoro-N-methyl-2H-pyridin-5-imine
SMILESC/N=C1\C=NCC(F)=C1
InChIInChI=1S/C6H7FN2/c1-8-6-2-5(7)3-9-4-6/h2,4H,3H2,1H3/b8-6-
InChIKeyUQEXCJXHJOKNIM-VURMDHGXSA-N
XLogP1.00
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3H-pyridin-1-ium
CID 57109378
4-fluoro-3H-pyridin-1-ium
CID 57288424
(2S)-2-fluoro-2,5-dihydropyridine
CID 91143792
5-Fluoro-2,5-dihydropyridine
CID 173305258
3-Fluoro-2,5-dihydropyridine
CID 178037828
N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine
CID 89251952
1-(2-fluoropyrrol-2-yl)-N-methylmethanimine
CID 89252040
N-methyl-2H-pyridin-3-imine
CID 70547200
N-(3-pyridylidene)-ethylamine
CID 86750054
N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine;xenon
CID 89251951
1-(2-fluoropyrrol-2-yl)-N-methylmethanimine;xenon
CID 89252039
1-N,2-N-dimethylpent-3-ene-1,2-diimine
CID 123282638

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-2H-pyridin-5-imine?
The IUPAC name of 3-fluoro-N-methyl-2H-pyridin-5-imine (CID 123433010) is 3-fluoro-N-methyl-2H-pyridin-5-imine.
What is the SMILES notation for 3-fluoro-N-methyl-2H-pyridin-5-imine?
The canonical SMILES for 3-fluoro-N-methyl-2H-pyridin-5-imine is C/N=C1\C=NCC(F)=C1.
What is the InChIKey of 3-fluoro-N-methyl-2H-pyridin-5-imine?
The InChIKey is UQEXCJXHJOKNIM-VURMDHGXSA-N. The full InChI is InChI=1S/C6H7FN2/c1-8-6-2-5(7)3-9-4-6/h2,4H,3H2,1H3/b8-6-.
What are the key properties of 3-fluoro-N-methyl-2H-pyridin-5-imine?
3-fluoro-N-methyl-2H-pyridin-5-imine has a molecular weight of 126.13 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-2H-pyridin-5-imine is sourced from PubChem (CID 123433010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).