3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile

C8H8FN3 — CID 55293179

IUPAC3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile
SMILESN#CCC(N)c1ccnc(F)c1
InChIInChI=1S/C8H8FN3/c9-8-5-6(2-4-12-8)7(11)1-3-10/h2,4-5,7H,1,11H2
InChIKeyKFDILNBSTUOXDH-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.13
Rot. Bonds2

About 3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile

3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile (PubChem CID 55293179) has the molecular formula C8H8FN3 and a molecular weight of 165.17 g/mol. Its IUPAC name is 3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile.

Molecular Properties

Compound Name3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile
PubChem CID55293179
Molecular FormulaC8H8FN3
Molecular Weight165.17 g/mol
Exact Mass165.07
IUPAC Name3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile
SMILESN#CCC(N)c1ccnc(F)c1
InChIInChI=1S/C8H8FN3/c9-8-5-6(2-4-12-8)7(11)1-3-10/h2,4-5,7H,1,11H2
InChIKeyKFDILNBSTUOXDH-UHFFFAOYSA-N
XLogP1.13
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-amino-3-(2-chloro-4-pyridinyl)propanenitrile
CID 55276398
(2S)-2-amino-2-(2-fluoro-4-pyridinyl)ethanol
CID 55262980
(2R)-2-amino-2-(2-fluoro-4-pyridinyl)ethanol
CID 130829259
4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-carboxylic acid
CID 130614729
(3R)-3-amino-3-(6-fluoro-3-pyridinyl)propanenitrile
CID 55276182
(2-fluoro-4-pyridinyl)methanediamine
CID 146521385
(3S)-3-amino-3-(3,4-difluorophenyl)propanenitrile
CID 130722844
(3R)-3-amino-3-quinoxalin-6-ylpropanenitrile
CID 55276938
2-cyclopropyl-1-(2-fluoro-4-pyridinyl)ethanamine
CID 55292884
(3R)-3-amino-3-(4-bromo-3-fluorophenyl)propanenitrile
CID 131054714
(3R)-3-amino-3-(4-fluoro-3-methylphenyl)propanenitrile
CID 55277483
(3R)-3-amino-3-(3-fluoro-4-iodophenyl)propanenitrile
CID 130655907

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile?
The IUPAC name of 3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile (CID 55293179) is 3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile.
What is the SMILES notation for 3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile?
The canonical SMILES for 3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile is N#CCC(N)c1ccnc(F)c1.
What is the InChIKey of 3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile?
The InChIKey is KFDILNBSTUOXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3/c9-8-5-6(2-4-12-8)7(11)1-3-10/h2,4-5,7H,1,11H2.
What are the key properties of 3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile?
3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile has a molecular weight of 165.17 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile is sourced from PubChem (CID 55293179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).