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

C9H5F3N4O — CID 118818085

IUPAC4-amino-5-(cyanomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#CCc1cnc(C#N)c(OC(F)(F)F)c1N
InChIInChI=1S/C9H5F3N4O/c10-9(11,12)17-8-6(3-14)16-4-5(1-2-13)7(8)15/h4H,1H2,(H2,15,16)
InChIKeyNIQDXHFTEVRBHG-UHFFFAOYSA-N
MW242.16 g/mol
LogP1.50
Rot. Bonds2

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

4-amino-5-(cyanomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 118818085) has the molecular formula C9H5F3N4O and a molecular weight of 242.16 g/mol. Its IUPAC name is 4-amino-5-(cyanomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(cyanomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID118818085
Molecular FormulaC9H5F3N4O
Molecular Weight242.16 g/mol
Exact Mass242.04
IUPAC Name4-amino-5-(cyanomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#CCc1cnc(C#N)c(OC(F)(F)F)c1N
InChIInChI=1S/C9H5F3N4O/c10-9(11,12)17-8-6(3-14)16-4-5(1-2-13)7(8)15/h4H,1H2,(H2,15,16)
InChIKeyNIQDXHFTEVRBHG-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

4-amino-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118834947
2-[6-amino-4-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118999485
2-[3-amino-5-(aminomethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133085802
2-[6-iodo-4-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 130112871
2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118990941
2-[4-(chloromethyl)-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133094642
2-[5-methoxy-6-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134678583
2-[6-bromo-4-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119014188
2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119011895
2-[4-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118807259
2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134667296
2-[6-(bromomethyl)-4-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118843867

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(cyanomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-amino-5-(cyanomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile (CID 118818085) is 4-amino-5-(cyanomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-amino-5-(cyanomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-amino-5-(cyanomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile is N#CCc1cnc(C#N)c(OC(F)(F)F)c1N.
What is the InChIKey of 4-amino-5-(cyanomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is NIQDXHFTEVRBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N4O/c10-9(11,12)17-8-6(3-14)16-4-5(1-2-13)7(8)15/h4H,1H2,(H2,15,16).
What are the key properties of 4-amino-5-(cyanomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
4-amino-5-(cyanomethyl)-3-(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)-3-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 118818085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).