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

C8H8F2N4 — CID 130103406

IUPAC3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(CN)c(C(F)F)cc1N
InChIInChI=1S/C8H8F2N4/c9-8(10)4-1-5(13)7(3-12)14-6(4)2-11/h1,8H,2,11,13H2
InChIKeyXEDLUYIRCRUGNX-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.93
Rot. Bonds2

About 3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile

3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 130103406) has the molecular formula C8H8F2N4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID130103406
Molecular FormulaC8H8F2N4
Molecular Weight198.18 g/mol
Exact Mass198.07
IUPAC Name3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(CN)c(C(F)F)cc1N
InChIInChI=1S/C8H8F2N4/c9-8(10)4-1-5(13)7(3-12)14-6(4)2-11/h1,8H,2,11,13H2
InChIKeyXEDLUYIRCRUGNX-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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Related Compounds

6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 118831507
6-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118848258
3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130078808
6-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118853861
4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118800135
6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118843869
6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 130076567
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118853773
2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118825834
6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 118832450
ethyl 2-[5-(aminomethyl)-6-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
CID 133106905
2-[5-amino-3-(difluoromethyl)-6-nitro-2-pyridinyl]acetonitrile
CID 130106916

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile (CID 130103406) is 3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(CN)c(C(F)F)cc1N.
What is the InChIKey of 3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is XEDLUYIRCRUGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4/c9-8(10)4-1-5(13)7(3-12)14-6(4)2-11/h1,8H,2,11,13H2.
What are the key properties of 3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
3-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 3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130103406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).