4-(1-fluoroethyl)pyridine-3-carbonitrile

C8H7FN2 — CID 91089599

IUPAC4-(1-fluoroethyl)pyridine-3-carbonitrile
SMILESCC(F)c1ccncc1C#N
InChIInChI=1S/C8H7FN2/c1-6(9)8-2-3-11-5-7(8)4-10/h2-3,5-6H,1H3
InChIKeyDBGDMMFRJYXRQL-UHFFFAOYSA-N
MW150.16 g/mol
LogP1.98
Rot. Bonds1

About 4-(1-fluoroethyl)pyridine-3-carbonitrile

4-(1-fluoroethyl)pyridine-3-carbonitrile (PubChem CID 91089599) has the molecular formula C8H7FN2 and a molecular weight of 150.16 g/mol. Its IUPAC name is 4-(1-fluoroethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1-fluoroethyl)pyridine-3-carbonitrile
PubChem CID91089599
Molecular FormulaC8H7FN2
Molecular Weight150.16 g/mol
Exact Mass150.06
IUPAC Name4-(1-fluoroethyl)pyridine-3-carbonitrile
SMILESCC(F)c1ccncc1C#N
InChIInChI=1S/C8H7FN2/c1-6(9)8-2-3-11-5-7(8)4-10/h2-3,5-6H,1H3
InChIKeyDBGDMMFRJYXRQL-UHFFFAOYSA-N
XLogP1.98
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-cyano-4-pyridinyl)propylboronic acid
CID 143564527
4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile
CID 55262869
4-bromopyridine-3-carbonitrile
CID 22329522
3-(difluoromethoxy)pyridine-4-carbonitrile
CID 131231725
3-propan-2-yloxypyridine-4-carbonitrile
CID 91623739
(1S)-1-(3-ethynyl-4-pyridinyl)ethanamine
CID 74788000
4-propan-2-yl-3-prop-1-ynylpyridine
CID 163224364
4-[4-(1-hydroxyethyl)-3-pyridinyl]-2-methylbenzonitrile
CID 53236850
butane;ethane;4-methylpyridine-3-carbonitrile
CID 171848081
2-tert-butyl-4-(1-fluoroethyl)pyridine-3-carbonitrile
CID 59589241
4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile
CID 130810747
5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130095790

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)pyridine-3-carbonitrile?
The IUPAC name of 4-(1-fluoroethyl)pyridine-3-carbonitrile (CID 91089599) is 4-(1-fluoroethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1-fluoroethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(1-fluoroethyl)pyridine-3-carbonitrile is CC(F)c1ccncc1C#N.
What is the InChIKey of 4-(1-fluoroethyl)pyridine-3-carbonitrile?
The InChIKey is DBGDMMFRJYXRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2/c1-6(9)8-2-3-11-5-7(8)4-10/h2-3,5-6H,1H3.
What are the key properties of 4-(1-fluoroethyl)pyridine-3-carbonitrile?
4-(1-fluoroethyl)pyridine-3-carbonitrile has a molecular weight of 150.16 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 91089599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).