2-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile

C8H11FN2 — CID 166157359

IUPAC2-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile
SMILESCN1CC(F)=CC(CC#N)C1
InChIInChI=1S/C8H11FN2/c1-11-5-7(2-3-10)4-8(9)6-11/h4,7H,2,5-6H2,1H3
InChIKeyXERDJSZTSJTXRY-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.32
Rot. Bonds1

About 2-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile

2-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile (PubChem CID 166157359) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile
PubChem CID166157359
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name2-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile
SMILESCN1CC(F)=CC(CC#N)C1
InChIInChI=1S/C8H11FN2/c1-11-5-7(2-3-10)4-8(9)6-11/h4,7H,2,5-6H2,1H3
InChIKeyXERDJSZTSJTXRY-UHFFFAOYSA-N
XLogP1.32
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(Dimethylamino)-6-fluorocyclohexa-2,4-diene-1-carbonitrile
CID 89370580
2-(5-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile
CID 166157512
2-(1-ethyl-5-fluoro-3,6-dihydro-2H-pyridin-3-yl)acetonitrile
CID 170601939
2-(5-fluoro-1-propyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile
CID 176920837
1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 126996488
1-(2-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 130684617
1-(3-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 131089128
1-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopropane-1-carbonitrile
CID 133629549
3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 178009674
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)acetonitrile
CID 10419239
5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-2-carbonitrile
CID 13499504
1,6-Dimethyl-2,5-dihydropyridine-6-carbonitrile
CID 154447801

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile?
The IUPAC name of 2-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile (CID 166157359) is 2-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile.
What is the SMILES notation for 2-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile?
The canonical SMILES for 2-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile is CN1CC(F)=CC(CC#N)C1.
What is the InChIKey of 2-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile?
The InChIKey is XERDJSZTSJTXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-11-5-7(2-3-10)4-8(9)6-11/h4,7H,2,5-6H2,1H3.
What are the key properties of 2-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile?
2-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile has a molecular weight of 154.19 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile is sourced from PubChem (CID 166157359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).