4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile

C9H8F3N3 — CID 63226781

IUPAC4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(NCCC(F)(F)F)ccn1
InChIInChI=1S/C9H8F3N3/c10-9(11,12)2-4-15-7-1-3-14-8(5-7)6-13/h1,3,5H,2,4H2,(H,14,15)
InChIKeyMGBGAJXEJVLIMU-UHFFFAOYSA-N
MW215.18 g/mol
LogP2.32
Rot. Bonds3

About 4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile

4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile (PubChem CID 63226781) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile
PubChem CID63226781
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(NCCC(F)(F)F)ccn1
InChIInChI=1S/C9H8F3N3/c10-9(11,12)2-4-15-7-1-3-14-8(5-7)6-13/h1,3,5H,2,4H2,(H,14,15)
InChIKeyMGBGAJXEJVLIMU-UHFFFAOYSA-N
XLogP2.32
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminopropylamino)pyridine-2-carbonitrile
CID 62926383
4-(2-methoxyethylamino)pyridine-2-carbonitrile
CID 62924815
4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile
CID 62926078
2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
CID 112527763
4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 63242090
4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile
CID 62925537
4-(5-methylhexylamino)pyridine-2-carbonitrile
CID 115325582
4-[2-[(2-cyano-4-pyridinyl)amino]ethyl]benzoic acid
CID 62924635
4-(2-phenylsulfanylethylamino)pyridine-2-carbonitrile
CID 55156654
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
CID 62979748
4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile
CID 55136840

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile (CID 63226781) is 4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile is N#Cc1cc(NCCC(F)(F)F)ccn1.
What is the InChIKey of 4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile?
The InChIKey is MGBGAJXEJVLIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c10-9(11,12)2-4-15-7-1-3-14-8(5-7)6-13/h1,3,5H,2,4H2,(H,14,15).
What are the key properties of 4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile?
4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile has a molecular weight of 215.18 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 63226781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).