3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile

C8H8F2N4 — CID 103468887

IUPAC3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile
SMILESN#Cc1nc(NCC(F)F)ccc1N
InChIInChI=1S/C8H8F2N4/c9-7(10)4-13-8-2-1-5(12)6(3-11)14-8/h1-2,7H,4,12H2,(H,13,14)
InChIKeyYNBZTFONVIGWMW-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.21
Rot. Bonds3

About 3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile

3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile (PubChem CID 103468887) has the molecular formula C8H8F2N4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile
PubChem CID103468887
Molecular FormulaC8H8F2N4
Molecular Weight198.18 g/mol
Exact Mass198.07
IUPAC Name3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile
SMILESN#Cc1nc(NCC(F)F)ccc1N
InChIInChI=1S/C8H8F2N4/c9-7(10)4-13-8-2-1-5(12)6(3-11)14-8/h1-2,7H,4,12H2,(H,13,14)
InChIKeyYNBZTFONVIGWMW-UHFFFAOYSA-N
XLogP1.21
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile
CID 103469096
3-amino-6-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 103468594
3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile
CID 103468525
3-amino-6-(2-hydroxyethylamino)pyridine-2-carbonitrile
CID 103467344
3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile
CID 103468589
3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile
CID 106243451
3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103469214
3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 103468207
3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile
CID 103469092
3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 103468304
3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile
CID 107845785
3-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carbonitrile
CID 103469216

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile (CID 103468887) is 3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile is N#Cc1nc(NCC(F)F)ccc1N.
What is the InChIKey of 3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile?
The InChIKey is YNBZTFONVIGWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4/c9-7(10)4-13-8-2-1-5(12)6(3-11)14-8/h1-2,7H,4,12H2,(H,13,14).
What are the key properties of 3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile?
3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile has a molecular weight of 198.18 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 103468887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).