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

C9H5F3N4O — CID 118833213

IUPAC4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#CCc1c(N)cc(C#N)nc1OC(F)(F)F
InChIInChI=1S/C9H5F3N4O/c10-9(11,12)17-8-6(1-2-13)7(15)3-5(4-14)16-8/h3H,1H2,(H2,15,16)
InChIKeyWKJUSMPERYFYKF-UHFFFAOYSA-N
MW242.16 g/mol
LogP1.50
Rot. Bonds2

About 4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile

4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 118833213) has the molecular formula C9H5F3N4O and a molecular weight of 242.16 g/mol. Its IUPAC name is 4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID118833213
Molecular FormulaC9H5F3N4O
Molecular Weight242.16 g/mol
Exact Mass242.04
IUPAC Name4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#CCc1c(N)cc(C#N)nc1OC(F)(F)F
InChIInChI=1S/C9H5F3N4O/c10-9(11,12)17-8-6(1-2-13)7(15)3-5(4-14)16-8/h3H,1H2,(H2,15,16)
InChIKeyWKJUSMPERYFYKF-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

5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131434041
5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279576
5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095331
2-[6-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 134672895
2-[6-(aminomethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134666816
2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095123
2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134671444
ethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 133096589
4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279572
4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118806171
2-[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133086423
2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118812615

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile (CID 118833213) is 4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile is N#CCc1c(N)cc(C#N)nc1OC(F)(F)F.
What is the InChIKey of 4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is WKJUSMPERYFYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N4O/c10-9(11,12)17-8-6(1-2-13)7(15)3-5(4-14)16-8/h3H,1H2,(H2,15,16).
What are the key properties of 4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile?
4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-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 4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 118833213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).