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

C9H6F2N4 — CID 130103544

IUPAC3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#CCc1ncc(C(F)F)c(C#N)c1N
InChIInChI=1S/C9H6F2N4/c10-9(11)6-4-15-7(1-2-12)8(14)5(6)3-13/h4,9H,1,14H2
InChIKeyBCJDRNPCBATDFT-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.54
Rot. Bonds2

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

3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile (PubChem CID 130103544) has the molecular formula C9H6F2N4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile
PubChem CID130103544
Molecular FormulaC9H6F2N4
Molecular Weight208.17 g/mol
Exact Mass208.06
IUPAC Name3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#CCc1ncc(C(F)F)c(C#N)c1N
InChIInChI=1S/C9H6F2N4/c10-9(11)6-4-15-7(1-2-12)8(14)5(6)3-13/h4,9H,1,14H2
InChIKeyBCJDRNPCBATDFT-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-(cyanomethyl)-5-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077493
2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile
CID 118816708
3-amino-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103257
2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119020158
2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 118811281
4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130103555
2-[5-(difluoromethyl)-4-fluoro-3-hydroxy-2-pyridinyl]acetonitrile
CID 130079552
2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile
CID 118804825
2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130109640
2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118812030
2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 118808807
5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile
CID 130077533

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile (CID 130103544) is 3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile is N#CCc1ncc(C(F)F)c(C#N)c1N.
What is the InChIKey of 3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile?
The InChIKey is BCJDRNPCBATDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N4/c10-9(11)6-4-15-7(1-2-12)8(14)5(6)3-13/h4,9H,1,14H2.
What are the key properties of 3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile?
3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-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 3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 130103544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).