N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine

C6H7FN2 — CID 91428814

IUPACN-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine
SMILESC=NC1=CCC(F)C=N1
InChIInChI=1S/C6H7FN2/c1-8-6-3-2-5(7)4-9-6/h3-5H,1-2H2
InChIKeyBDQVDUUOKSWKBX-UHFFFAOYSA-N
MW126.13 g/mol
LogP1.34
Rot. Bonds1

About N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine

N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine (PubChem CID 91428814) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine.

Molecular Properties

Compound NameN-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine
PubChem CID91428814
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC NameN-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine
SMILESC=NC1=CCC(F)C=N1
InChIInChI=1S/C6H7FN2/c1-8-6-3-2-5(7)4-9-6/h3-5H,1-2H2
InChIKeyBDQVDUUOKSWKBX-UHFFFAOYSA-N
XLogP1.34
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.34
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

6-Fluoro-3,4-dihydropyridine
CID 67779683
5-fluoro-3H-pyrrole
CID 67893608
3-Fluoro-3,4-dihydropyridine
CID 143973155
4-Fluoro-3,4-dihydropyridine
CID 150793545
6-Bromo-3-fluoro-3,4-dihydropyridine
CID 152854704
3-Fluoro-3,4-dihydropyridin-6-amine
CID 153184439
3,6-Difluoro-3,4-dihydropyridine
CID 156184120
6-Chloro-3-fluoro-3,4-dihydropyridine
CID 163500117
(3R)-3-fluoro-3,4-dihydropyridin-6-amine
CID 164060921
3-Fluoro-6-iodo-3,4-dihydropyridine
CID 166812830
3,4-Dihydropyridin-6-amine
CID 22751226
3,4-Dihydropyridin-1-ium
CID 152774519

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine?
The IUPAC name of N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine (CID 91428814) is N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine.
What is the SMILES notation for N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine?
The canonical SMILES for N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine is C=NC1=CCC(F)C=N1.
What is the InChIKey of N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine?
The InChIKey is BDQVDUUOKSWKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2/c1-8-6-3-2-5(7)4-9-6/h3-5H,1-2H2.
What are the key properties of N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine?
N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine has a molecular weight of 126.13 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine is sourced from PubChem (CID 91428814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).