6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile

C9H5F3N4O — CID 118994523

IUPAC6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#CCc1nc(N)c(OC(F)(F)F)cc1C#N
InChIInChI=1S/C9H5F3N4O/c10-9(11,12)17-7-3-5(4-14)6(1-2-13)16-8(7)15/h3H,1H2,(H2,15,16)
InChIKeyZVGYWADFXASBRO-UHFFFAOYSA-N
MW242.16 g/mol
LogP1.50
Rot. Bonds2

About 6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile

6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 118994523) has the molecular formula C9H5F3N4O and a molecular weight of 242.16 g/mol. Its IUPAC name is 6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID118994523
Molecular FormulaC9H5F3N4O
Molecular Weight242.16 g/mol
Exact Mass242.04
IUPAC Name6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#CCc1nc(N)c(OC(F)(F)F)cc1C#N
InChIInChI=1S/C9H5F3N4O/c10-9(11,12)17-7-3-5(4-14)6(1-2-13)16-8(7)15/h3H,1H2,(H2,15,16)
InChIKeyZVGYWADFXASBRO-UHFFFAOYSA-N
XLogP1.50
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-amino-3-(aminomethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118996718
5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095331
2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 119014512
6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 119010545
2-[6-iodo-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134667886
2-amino-6-methoxy-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131624032
2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119024165
ethyl 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 133096435
6-amino-5-cyano-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 133094791
2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134658688
2-[3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134667935
2-[3-iodo-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134678939

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile (CID 118994523) is 6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile is N#CCc1nc(N)c(OC(F)(F)F)cc1C#N.
What is the InChIKey of 6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is ZVGYWADFXASBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N4O/c10-9(11,12)17-7-3-5(4-14)6(1-2-13)16-8(7)15/h3H,1H2,(H2,15,16).
What are the key properties of 6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile?
6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 242.16 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 118994523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).