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

C9H6F2N4 — CID 130103555

IUPAC4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#CCc1cnc(C(F)F)c(C#N)c1N
InChIInChI=1S/C9H6F2N4/c10-9(11)8-6(3-13)7(14)5(1-2-12)4-15-8/h4,9H,1H2,(H2,14,15)
InChIKeyRHYSVCWWDVLYGX-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.54
Rot. Bonds2

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

4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 130103555) has the molecular formula C9H6F2N4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID130103555
Molecular FormulaC9H6F2N4
Molecular Weight208.17 g/mol
Exact Mass208.06
IUPAC Name4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#CCc1cnc(C(F)F)c(C#N)c1N
InChIInChI=1S/C9H6F2N4/c10-9(11)8-6(3-13)7(14)5(1-2-12)4-15-8/h4,9H,1H2,(H2,14,15)
InChIKeyRHYSVCWWDVLYGX-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-[5-amino-6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
CID 130105418
2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099030
2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099368
2-[4-amino-5-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130107143
3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile
CID 130103544
5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108769
2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 118808807
2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130102804
2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile
CID 118812879
4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130071207
2-[5-bromo-6-(difluoromethyl)-4-methoxy-3-pyridinyl]acetonitrile
CID 130068862
2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119020158

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile (CID 130103555) is 4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile is N#CCc1cnc(C(F)F)c(C#N)c1N.
What is the InChIKey of 4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is RHYSVCWWDVLYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N4/c10-9(11)8-6(3-13)7(14)5(1-2-12)4-15-8/h4,9H,1H2,(H2,14,15).
What are the key properties of 4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile?
4-amino-5-(cyanomethyl)-2-(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 4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130103555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).