2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile

C9H6F2N4 — CID 119020158

IUPAC2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#CCc1c(C(F)F)cnc(N)c1C#N
InChIInChI=1S/C9H6F2N4/c10-8(11)7-4-15-9(14)6(3-13)5(7)1-2-12/h4,8H,1H2,(H2,14,15)
InChIKeyLFTSHKGCTMVXFF-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.54
Rot. Bonds2

About 2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile

2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 119020158) has the molecular formula C9H6F2N4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID119020158
Molecular FormulaC9H6F2N4
Molecular Weight208.17 g/mol
Exact Mass208.06
IUPAC Name2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#CCc1c(C(F)F)cnc(N)c1C#N
InChIInChI=1S/C9H6F2N4/c10-8(11)7-4-15-9(14)6(3-13)5(7)1-2-12/h4,8H,1H2,(H2,14,15)
InChIKeyLFTSHKGCTMVXFF-UHFFFAOYSA-N
XLogP1.54
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134685819
3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile
CID 130103544
2-(cyanomethyl)-5-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077493
2-[3-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134685821
2-[2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070216
4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118829842
4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130103555
2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130095597
2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130102804
2-[3-bromo-2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070225
6-amino-5-(difluoromethyl)pyridine-3-carbonitrile
CID 130094585
2-[2-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 119011505

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile (CID 119020158) is 2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile is N#CCc1c(C(F)F)cnc(N)c1C#N.
What is the InChIKey of 2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is LFTSHKGCTMVXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N4/c10-8(11)7-4-15-9(14)6(3-13)5(7)1-2-12/h4,8H,1H2,(H2,14,15).
What are the key properties of 2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile has a molecular weight of 208.17 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 119020158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).