3-amino-3-(2,6-difluoro-3-pyridinyl)propanenitrile

C8H7F2N3 — CID 55294847

IUPAC3-amino-3-(2,6-difluoro-3-pyridinyl)propanenitrile
SMILESN#CCC(N)c1ccc(F)nc1F
InChIInChI=1S/C8H7F2N3/c9-7-2-1-5(8(10)13-7)6(12)3-4-11/h1-2,6H,3,12H2
InChIKeyXICKSTKHXFAMPO-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.27
Rot. Bonds2

About 3-amino-3-(2,6-difluoro-3-pyridinyl)propanenitrile

3-amino-3-(2,6-difluoro-3-pyridinyl)propanenitrile (PubChem CID 55294847) has the molecular formula C8H7F2N3 and a molecular weight of 183.16 g/mol. Its IUPAC name is 3-amino-3-(2,6-difluoro-3-pyridinyl)propanenitrile.

Molecular Properties

Compound Name3-amino-3-(2,6-difluoro-3-pyridinyl)propanenitrile
PubChem CID55294847
Molecular FormulaC8H7F2N3
Molecular Weight183.16 g/mol
Exact Mass183.06
IUPAC Name3-amino-3-(2,6-difluoro-3-pyridinyl)propanenitrile
SMILESN#CCC(N)c1ccc(F)nc1F
InChIInChI=1S/C8H7F2N3/c9-7-2-1-5(8(10)13-7)6(12)3-4-11/h1-2,6H,3,12H2
InChIKeyXICKSTKHXFAMPO-UHFFFAOYSA-N
XLogP1.27
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.27
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

(1S)-1-(2,6-difluoro-3-pyridinyl)propan-1-amine
CID 55292186
2-amino-2-(2,6-difluoro-3-pyridinyl)ethanol
CID 55294647
(3R)-3-amino-3-(6-fluoro-3-pyridinyl)propanenitrile
CID 55276182
(3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride
CID 171260293
(3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile
CID 55276827
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride
CID 162344714
(3S)-3-amino-3-(2-fluoro-4-methylphenyl)propanenitrile;hydrochloride
CID 171259899
(3S)-3-amino-3-(3-fluoro-2-hydroxy-4-methylphenyl)propanenitrile
CID 130665481
3-amino-3-(6-fluoro-4-methyl-3-pyridinyl)propanenitrile
CID 55295217
(3S)-3-amino-3-(2,3-difluorophenyl)propanenitrile
CID 130649067
(3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanenitrile
CID 131196533
(1S)-1-(2,6-difluoro-3-pyridinyl)prop-2-en-1-amine
CID 55292187

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,6-difluoro-3-pyridinyl)propanenitrile?
The IUPAC name of 3-amino-3-(2,6-difluoro-3-pyridinyl)propanenitrile (CID 55294847) is 3-amino-3-(2,6-difluoro-3-pyridinyl)propanenitrile.
What is the SMILES notation for 3-amino-3-(2,6-difluoro-3-pyridinyl)propanenitrile?
The canonical SMILES for 3-amino-3-(2,6-difluoro-3-pyridinyl)propanenitrile is N#CCC(N)c1ccc(F)nc1F.
What is the InChIKey of 3-amino-3-(2,6-difluoro-3-pyridinyl)propanenitrile?
The InChIKey is XICKSTKHXFAMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3/c9-7-2-1-5(8(10)13-7)6(12)3-4-11/h1-2,6H,3,12H2.
What are the key properties of 3-amino-3-(2,6-difluoro-3-pyridinyl)propanenitrile?
3-amino-3-(2,6-difluoro-3-pyridinyl)propanenitrile has a molecular weight of 183.16 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,6-difluoro-3-pyridinyl)propanenitrile is sourced from PubChem (CID 55294847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).