1-(2-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile

C10H15FN2 — CID 130684617

IUPAC1-(2-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESCCC(F)CN1CC=C(C#N)CC1
InChIInChI=1S/C10H15FN2/c1-2-10(11)8-13-5-3-9(7-12)4-6-13/h3,10H,2,4-6,8H2,1H3
InChIKeyJNEHTKQVSAVOSC-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.89
Rot. Bonds3

About 1-(2-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile

1-(2-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile (PubChem CID 130684617) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-(2-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
PubChem CID130684617
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name1-(2-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESCCC(F)CN1CC=C(C#N)CC1
InChIInChI=1S/C10H15FN2/c1-2-10(11)8-13-5-3-9(7-12)4-6-13/h3,10H,2,4-6,8H2,1H3
InChIKeyJNEHTKQVSAVOSC-UHFFFAOYSA-N
XLogP1.89
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The IUPAC name of 1-(2-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile (CID 130684617) is 1-(2-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile.
What is the SMILES notation for 1-(2-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The canonical SMILES for 1-(2-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile is CCC(F)CN1CC=C(C#N)CC1.
What is the InChIKey of 1-(2-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The InChIKey is JNEHTKQVSAVOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-2-10(11)8-13-5-3-9(7-12)4-6-13/h3,10H,2,4-6,8H2,1H3.
What are the key properties of 1-(2-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
1-(2-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile has a molecular weight of 182.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile is sourced from PubChem (CID 130684617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).