(3R)-3-amino-3-(6-fluoro-3-pyridinyl)propanenitrile

C8H8FN3 — CID 55276182

IUPAC(3R)-3-amino-3-(6-fluoro-3-pyridinyl)propanenitrile
SMILESN#CC[C@@H](N)c1ccc(F)nc1
InChIInChI=1S/C8H8FN3/c9-8-2-1-6(5-12-8)7(11)3-4-10/h1-2,5,7H,3,11H2/t7-/m1/s1
InChIKeyXCHQESSSNGZUDP-SSDOTTSWSA-N
MW165.17 g/mol
LogP1.13
Rot. Bonds2

About (3R)-3-amino-3-(6-fluoro-3-pyridinyl)propanenitrile

(3R)-3-amino-3-(6-fluoro-3-pyridinyl)propanenitrile (PubChem CID 55276182) has the molecular formula C8H8FN3 and a molecular weight of 165.17 g/mol. Its IUPAC name is (3R)-3-amino-3-(6-fluoro-3-pyridinyl)propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-(6-fluoro-3-pyridinyl)propanenitrile
PubChem CID55276182
Molecular FormulaC8H8FN3
Molecular Weight165.17 g/mol
Exact Mass165.07
IUPAC Name(3R)-3-amino-3-(6-fluoro-3-pyridinyl)propanenitrile
SMILESN#CC[C@@H](N)c1ccc(F)nc1
InChIInChI=1S/C8H8FN3/c9-8-2-1-6(5-12-8)7(11)3-4-10/h1-2,5,7H,3,11H2/t7-/m1/s1
InChIKeyXCHQESSSNGZUDP-SSDOTTSWSA-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

3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile
CID 55293179
(3S)-3-amino-3-(3,4-difluorophenyl)propanenitrile
CID 130722844
3-amino-3-(6-fluoro-4-methyl-3-pyridinyl)propanenitrile
CID 55295217
3-amino-3-(2,6-difluoro-3-pyridinyl)propanenitrile
CID 55294847
(3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride
CID 171259888
(4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid
CID 55265570
3-amino-3-(4-propan-2-ylphenyl)propanenitrile
CID 55271456
(3R)-3-amino-3-(3-fluoro-4-iodophenyl)propanenitrile
CID 130655907
(3R)-3-amino-3-quinoxalin-6-ylpropanenitrile
CID 55276938
(3R)-3-amino-3-(4-bromo-3-fluorophenyl)propanenitrile
CID 131054714
(3R)-3-amino-3-(4-fluoro-3-methylphenyl)propanenitrile
CID 55277483
2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanamine
CID 55296694

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(6-fluoro-3-pyridinyl)propanenitrile?
The IUPAC name of (3R)-3-amino-3-(6-fluoro-3-pyridinyl)propanenitrile (CID 55276182) is (3R)-3-amino-3-(6-fluoro-3-pyridinyl)propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-(6-fluoro-3-pyridinyl)propanenitrile?
The canonical SMILES for (3R)-3-amino-3-(6-fluoro-3-pyridinyl)propanenitrile is N#CC[C@@H](N)c1ccc(F)nc1.
What is the InChIKey of (3R)-3-amino-3-(6-fluoro-3-pyridinyl)propanenitrile?
The InChIKey is XCHQESSSNGZUDP-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8FN3/c9-8-2-1-6(5-12-8)7(11)3-4-10/h1-2,5,7H,3,11H2/t7-/m1/s1.
What are the key properties of (3R)-3-amino-3-(6-fluoro-3-pyridinyl)propanenitrile?
(3R)-3-amino-3-(6-fluoro-3-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-(6-fluoro-3-pyridinyl)propanenitrile is sourced from PubChem (CID 55276182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).