6-fluoro-2,3-dihydropyridine-5-carbonitrile

C6H5FN2 — CID 123606408

IUPAC6-fluoro-2,3-dihydropyridine-5-carbonitrile
SMILESN#CC1=CCCN=C1F
InChIInChI=1S/C6H5FN2/c7-6-5(4-8)2-1-3-9-6/h2H,1,3H2
InChIKeyMARYUQVFDHQGDE-UHFFFAOYSA-N
MW124.12 g/mol
LogP1.21
Rot. Bonds

About 6-fluoro-2,3-dihydropyridine-5-carbonitrile

6-fluoro-2,3-dihydropyridine-5-carbonitrile (PubChem CID 123606408) has the molecular formula C6H5FN2 and a molecular weight of 124.12 g/mol. Its IUPAC name is 6-fluoro-2,3-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name6-fluoro-2,3-dihydropyridine-5-carbonitrile
PubChem CID123606408
Molecular FormulaC6H5FN2
Molecular Weight124.12 g/mol
Exact Mass124.04
IUPAC Name6-fluoro-2,3-dihydropyridine-5-carbonitrile
SMILESN#CC1=CCCN=C1F
InChIInChI=1S/C6H5FN2/c7-6-5(4-8)2-1-3-9-6/h2H,1,3H2
InChIKeyMARYUQVFDHQGDE-UHFFFAOYSA-N
XLogP1.21
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.12
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-cyano-N-methylpent-2-enimidoyl fluoride
CID 166104395
2,3-Dihydropyridine-3,5-dicarbonitrile
CID 67085130
2,3-Dihydropyridine-5-carbonitrile
CID 70043575
6-Chloro-2,3-dihydropyridine-5-carbonitrile
CID 88974148

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-dihydropyridine-5-carbonitrile?
The IUPAC name of 6-fluoro-2,3-dihydropyridine-5-carbonitrile (CID 123606408) is 6-fluoro-2,3-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 6-fluoro-2,3-dihydropyridine-5-carbonitrile?
The canonical SMILES for 6-fluoro-2,3-dihydropyridine-5-carbonitrile is N#CC1=CCCN=C1F.
What is the InChIKey of 6-fluoro-2,3-dihydropyridine-5-carbonitrile?
The InChIKey is MARYUQVFDHQGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2/c7-6-5(4-8)2-1-3-9-6/h2H,1,3H2.
What are the key properties of 6-fluoro-2,3-dihydropyridine-5-carbonitrile?
6-fluoro-2,3-dihydropyridine-5-carbonitrile has a molecular weight of 124.12 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 123606408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).