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4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile

C8H8F2N4 — CID 118800135

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N)c(C(F)F)c(CN)n1
InChIInChI=1S/C8H8F2N4/c9-8(10)7-5(13)1-4(2-11)14-6(7)3-12/h1,8H,3,12H2,(H2,13,14)
InChIKeyDYCVRWWDUMVZPM-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.93
Rot. Bonds2

About 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile

4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 118800135) has the molecular formula C8H8F2N4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID118800135
Molecular FormulaC8H8F2N4
Molecular Weight198.18 g/mol
Exact Mass198.07
IUPAC Name4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N)c(C(F)F)c(CN)n1
InChIInChI=1S/C8H8F2N4/c9-8(10)7-5(13)1-4(2-11)14-6(7)3-12/h1,8H,3,12H2,(H2,13,14)
InChIKeyDYCVRWWDUMVZPM-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile (CID 118800135) is 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1cc(N)c(C(F)F)c(CN)n1.
What is the InChIKey of 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is DYCVRWWDUMVZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4/c9-8(10)7-5(13)1-4(2-11)14-6(7)3-12/h1,8H,3,12H2,(H2,13,14).
What are the key properties of 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile has a molecular weight of 198.18 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 118800135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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