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

C9H13FN2 — CID 126996488

IUPAC1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESN#CC1=CCN(CCCF)CC1
InChIInChI=1S/C9H13FN2/c10-4-1-5-12-6-2-9(8-11)3-7-12/h2H,1,3-7H2
InChIKeyHOPDYFICIUKTGD-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.50
Rot. Bonds3

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

1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-4-carbonitrile (PubChem CID 126996488) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
PubChem CID126996488
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESN#CC1=CCN(CCCF)CC1
InChIInChI=1S/C9H13FN2/c10-4-1-5-12-6-2-9(8-11)3-7-12/h2H,1,3-7H2
InChIKeyHOPDYFICIUKTGD-UHFFFAOYSA-N
XLogP1.50
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The IUPAC name of 1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-4-carbonitrile (CID 126996488) is 1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-4-carbonitrile.
What is the SMILES notation for 1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The canonical SMILES for 1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-4-carbonitrile is N#CC1=CCN(CCCF)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The InChIKey is HOPDYFICIUKTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c10-4-1-5-12-6-2-9(8-11)3-7-12/h2H,1,3-7H2.
What are the key properties of 1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-4-carbonitrile has a molecular weight of 168.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-4-carbonitrile is sourced from PubChem (CID 126996488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).