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

C10H15FN2 — CID 166157512

IUPAC2-(5-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile
SMILESCC(C)N1CC(F)=CC(CC#N)C1
InChIInChI=1S/C10H15FN2/c1-8(2)13-6-9(3-4-12)5-10(11)7-13/h5,8-9H,3,6-7H2,1-2H3
InChIKeyNPZTZKSRURHZAN-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.09
Rot. Bonds2

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

2-(5-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile (PubChem CID 166157512) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-(5-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile
PubChem CID166157512
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name2-(5-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile
SMILESCC(C)N1CC(F)=CC(CC#N)C1
InChIInChI=1S/C10H15FN2/c1-8(2)13-6-9(3-4-12)5-10(11)7-13/h5,8-9H,3,6-7H2,1-2H3
InChIKeyNPZTZKSRURHZAN-UHFFFAOYSA-N
XLogP2.09
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethyl-1-methyl-1,2,5,6-tetrahydro-2-pyridinecarbonitrile
CID 11829628
6-(Dimethylamino)-6-fluorocyclohexa-2,4-diene-1-carbonitrile
CID 89370580
2-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile
CID 166157359
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
1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile;hydrochloride
CID 13070746
1-(2-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 130684617
1-(3-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 131089128
2-[1-[(E)-3-fluoropent-3-en-2-yl]piperidin-4-yl]acetonitrile
CID 142851341
5-(cyanomethyl)-1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile
CID 10329580
2-(Dimethylamino)-3-(2-methylprop-1-enyl)butanedinitrile
CID 10654890
1,3-Dimethyl-1,2,5,6-tetrahydropyridine-2-carbonitrile
CID 12581458

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile?
The IUPAC name of 2-(5-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile (CID 166157512) is 2-(5-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile.
What is the SMILES notation for 2-(5-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile?
The canonical SMILES for 2-(5-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile is CC(C)N1CC(F)=CC(CC#N)C1.
What is the InChIKey of 2-(5-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile?
The InChIKey is NPZTZKSRURHZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-8(2)13-6-9(3-4-12)5-10(11)7-13/h5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 2-(5-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile?
2-(5-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile has a molecular weight of 182.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile is sourced from PubChem (CID 166157512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).