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

C9H5F3N4O — CID 133095331

IUPAC5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#CCc1nc(OC(F)(F)F)c(C#N)cc1N
InChIInChI=1S/C9H5F3N4O/c10-9(11,12)17-8-5(4-14)3-6(15)7(16-8)1-2-13/h3H,1,15H2
InChIKeyZWOVRKFUWSMOEE-UHFFFAOYSA-N
MW242.16 g/mol
LogP1.50
Rot. Bonds2

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

5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 133095331) has the molecular formula C9H5F3N4O and a molecular weight of 242.16 g/mol. Its IUPAC name is 5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID133095331
Molecular FormulaC9H5F3N4O
Molecular Weight242.16 g/mol
Exact Mass242.04
IUPAC Name5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#CCc1nc(OC(F)(F)F)c(C#N)cc1N
InChIInChI=1S/C9H5F3N4O/c10-9(11,12)17-8-5(4-14)3-6(15)7(16-8)1-2-13/h3H,1,15H2
InChIKeyZWOVRKFUWSMOEE-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

6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118994523
6-amino-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118997448
5-amino-2-bromo-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279561
4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118833213
5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095315
2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119024165
2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134666110
5-bromo-6-iodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095396
5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131613573
2-[6-amino-3-(aminomethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118996718
2-[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133086423
2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134676120

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile (CID 133095331) is 5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile is N#CCc1nc(OC(F)(F)F)c(C#N)cc1N.
What is the InChIKey of 5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is ZWOVRKFUWSMOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N4O/c10-9(11,12)17-8-5(4-14)3-6(15)7(16-8)1-2-13/h3H,1,15H2.
What are the key properties of 5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile?
5-amino-6-(cyanomethyl)-2-(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 5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 133095331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).