2-(2-fluoro-6-phosphanyl-2,3-dihydropyridin-4-yl)acetonitrile

C7H8FN2P — CID 166891099

IUPAC2-(2-fluoro-6-phosphanyl-2,3-dihydropyridin-4-yl)acetonitrile
SMILESN#CCC1=CC(P)=NC(F)C1
InChIInChI=1S/C7H8FN2P/c8-6-3-5(1-2-9)4-7(11)10-6/h4,6H,1,3,11H2
InChIKeyKQBVPSIGPARQCJ-UHFFFAOYSA-N
MW170.13 g/mol
LogP1.80
Rot. Bonds1

About 2-(2-fluoro-6-phosphanyl-2,3-dihydropyridin-4-yl)acetonitrile

2-(2-fluoro-6-phosphanyl-2,3-dihydropyridin-4-yl)acetonitrile (PubChem CID 166891099) has the molecular formula C7H8FN2P and a molecular weight of 170.13 g/mol. Its IUPAC name is 2-(2-fluoro-6-phosphanyl-2,3-dihydropyridin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-fluoro-6-phosphanyl-2,3-dihydropyridin-4-yl)acetonitrile
PubChem CID166891099
Molecular FormulaC7H8FN2P
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC Name2-(2-fluoro-6-phosphanyl-2,3-dihydropyridin-4-yl)acetonitrile
SMILESN#CCC1=CC(P)=NC(F)C1
InChIInChI=1S/C7H8FN2P/c8-6-3-5(1-2-9)4-7(11)10-6/h4,6H,1,3,11H2
InChIKeyKQBVPSIGPARQCJ-UHFFFAOYSA-N
XLogP1.80
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-Dihydropyridin-4-yl)acetonitrile
CID 123602795

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-phosphanyl-2,3-dihydropyridin-4-yl)acetonitrile?
The IUPAC name of 2-(2-fluoro-6-phosphanyl-2,3-dihydropyridin-4-yl)acetonitrile (CID 166891099) is 2-(2-fluoro-6-phosphanyl-2,3-dihydropyridin-4-yl)acetonitrile.
What is the SMILES notation for 2-(2-fluoro-6-phosphanyl-2,3-dihydropyridin-4-yl)acetonitrile?
The canonical SMILES for 2-(2-fluoro-6-phosphanyl-2,3-dihydropyridin-4-yl)acetonitrile is N#CCC1=CC(P)=NC(F)C1.
What is the InChIKey of 2-(2-fluoro-6-phosphanyl-2,3-dihydropyridin-4-yl)acetonitrile?
The InChIKey is KQBVPSIGPARQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN2P/c8-6-3-5(1-2-9)4-7(11)10-6/h4,6H,1,3,11H2.
What are the key properties of 2-(2-fluoro-6-phosphanyl-2,3-dihydropyridin-4-yl)acetonitrile?
2-(2-fluoro-6-phosphanyl-2,3-dihydropyridin-4-yl)acetonitrile has a molecular weight of 170.13 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-phosphanyl-2,3-dihydropyridin-4-yl)acetonitrile is sourced from PubChem (CID 166891099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).