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

C10H15FN2 — CID 131089128

IUPAC1-(3-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESCC(F)CCN1CC=C(C#N)CC1
InChIInChI=1S/C10H15FN2/c1-9(11)2-5-13-6-3-10(8-12)4-7-13/h3,9H,2,4-7H2,1H3
InChIKeyNEGRJZWTOZZQLU-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.89
Rot. Bonds3

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

1-(3-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile (PubChem CID 131089128) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-(3-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(3-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
PubChem CID131089128
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name1-(3-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESCC(F)CCN1CC=C(C#N)CC1
InChIInChI=1S/C10H15FN2/c1-9(11)2-5-13-6-3-10(8-12)4-7-13/h3,9H,2,4-7H2,1H3
InChIKeyNEGRJZWTOZZQLU-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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The IUPAC name of 1-(3-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile (CID 131089128) is 1-(3-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile.
What is the SMILES notation for 1-(3-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The canonical SMILES for 1-(3-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile is CC(F)CCN1CC=C(C#N)CC1.
What is the InChIKey of 1-(3-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The InChIKey is NEGRJZWTOZZQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-9(11)2-5-13-6-3-10(8-12)4-7-13/h3,9H,2,4-7H2,1H3.
What are the key properties of 1-(3-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
1-(3-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-(3-fluorobutyl)-3,6-dihydro-2H-pyridine-4-carbonitrile is sourced from PubChem (CID 131089128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).