2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile

C8H8F2N4 — CID 119009096

IUPAC2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(N)c(N)nc1C(F)F
InChIInChI=1S/C8H8F2N4/c9-7(10)6-4(1-2-11)3-5(12)8(13)14-6/h3,7H,1,12H2,(H2,13,14)
InChIKeyJVPDTSPCJIXGGF-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.25
Rot. Bonds2

About 2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile

2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 119009096) has the molecular formula C8H8F2N4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID119009096
Molecular FormulaC8H8F2N4
Molecular Weight198.18 g/mol
Exact Mass198.07
IUPAC Name2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(N)c(N)nc1C(F)F
InChIInChI=1S/C8H8F2N4/c9-7(10)6-4(1-2-11)3-5(12)8(13)14-6/h3,7H,1,12H2,(H2,13,14)
InChIKeyJVPDTSPCJIXGGF-UHFFFAOYSA-N
XLogP1.25
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine
CID 130098671
2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134671512
2-[5-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130107479
2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile
CID 119012339
2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
CID 130081614
2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130086873
2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130074290
2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile
CID 118837346
2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075158
2-[6-bromo-2-(difluoromethyl)-5-iodo-3-pyridinyl]acetonitrile
CID 130068327
2-[4-amino-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
CID 118823604
6-(difluoromethyl)-5-fluoropyridine-2,3-diamine
CID 130098596

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile (CID 119009096) is 2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile is N#CCc1cc(N)c(N)nc1C(F)F.
What is the InChIKey of 2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is JVPDTSPCJIXGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4/c9-7(10)6-4(1-2-11)3-5(12)8(13)14-6/h3,7H,1,12H2,(H2,13,14).
What are the key properties of 2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile?
2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile has a molecular weight of 198.18 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 119009096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).