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

C8H8FN3 — CID 55276827

IUPAC(3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile
SMILESN#CC[C@@H](N)c1ccncc1F
InChIInChI=1S/C8H8FN3/c9-7-5-12-4-2-6(7)8(11)1-3-10/h2,4-5,8H,1,11H2/t8-/m1/s1
InChIKeyFMGUNILCPVOYOC-MRVPVSSYSA-N
MW165.17 g/mol
LogP1.13
Rot. Bonds2

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

(3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile (PubChem CID 55276827) has the molecular formula C8H8FN3 and a molecular weight of 165.17 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile
PubChem CID55276827
Molecular FormulaC8H8FN3
Molecular Weight165.17 g/mol
Exact Mass165.07
IUPAC Name(3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile
SMILESN#CC[C@@H](N)c1ccncc1F
InChIInChI=1S/C8H8FN3/c9-7-5-12-4-2-6(7)8(11)1-3-10/h2,4-5,8H,1,11H2/t8-/m1/s1
InChIKeyFMGUNILCPVOYOC-MRVPVSSYSA-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

Analyze (3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-3-(4-chloro-3-pyridinyl)propanenitrile
CID 55291758
(3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride
CID 171260293
(1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine
CID 130679719
(3S)-3-amino-3-(2,3-difluorophenyl)propanenitrile
CID 130649067
(3S)-3-amino-3-(2-fluoro-4-methylphenyl)propanenitrile;hydrochloride
CID 171259899
2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine
CID 104738386
2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine
CID 113455102
3-amino-3-(2,6-difluoro-3-pyridinyl)propanenitrile
CID 55294847
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanenitrile
CID 130969387
(3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride
CID 171259888
2-(3-fluoro-4-pyridinyl)propan-1-amine
CID 84649949
1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine
CID 55295239

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile?
The IUPAC name of (3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile (CID 55276827) is (3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile?
The canonical SMILES for (3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile is N#CC[C@@H](N)c1ccncc1F.
What is the InChIKey of (3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile?
The InChIKey is FMGUNILCPVOYOC-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H8FN3/c9-7-5-12-4-2-6(7)8(11)1-3-10/h2,4-5,8H,1,11H2/t8-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile?
(3R)-3-amino-3-(3-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 (3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile is sourced from PubChem (CID 55276827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).