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

C7H4F3N3O — CID 119014677

IUPAC2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1ccc(OC(F)(F)F)nc1N
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)14-5-2-1-4(3-11)6(12)13-5/h1-2H,(H2,12,13)
InChIKeyVADIWDQQRDBNHP-UHFFFAOYSA-N
MW203.12 g/mol
LogP1.43
Rot. Bonds1

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

2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 119014677) has the molecular formula C7H4F3N3O and a molecular weight of 203.12 g/mol. Its IUPAC name is 2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID119014677
Molecular FormulaC7H4F3N3O
Molecular Weight203.12 g/mol
Exact Mass203.03
IUPAC Name2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1ccc(OC(F)(F)F)nc1N
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)14-5-2-1-4(3-11)6(12)13-5/h1-2H,(H2,12,13)
InChIKeyVADIWDQQRDBNHP-UHFFFAOYSA-N
XLogP1.43
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile (CID 119014677) is 2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1ccc(OC(F)(F)F)nc1N.
What is the InChIKey of 2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is VADIWDQQRDBNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O/c8-7(9,10)14-5-2-1-4(3-11)6(12)13-5/h1-2H,(H2,12,13).
What are the key properties of 2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile?
2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 203.12 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 119014677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).