3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile

C8H6F3N3O — CID 82812758

IUPAC3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCC(F)(F)F)c1N
InChIInChI=1S/C8H6F3N3O/c9-8(10,11)4-15-7-6(13)5(3-12)1-2-14-7/h1-2H,4,13H2
InChIKeyHLHWIOJNLVFCCV-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.48
Rot. Bonds2

About 3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile

3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile (PubChem CID 82812758) has the molecular formula C8H6F3N3O and a molecular weight of 217.15 g/mol. Its IUPAC name is 3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile
PubChem CID82812758
Molecular FormulaC8H6F3N3O
Molecular Weight217.15 g/mol
Exact Mass217.05
IUPAC Name3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCC(F)(F)F)c1N
InChIInChI=1S/C8H6F3N3O/c9-8(10,11)4-15-7-6(13)5(3-12)1-2-14-7/h1-2H,4,13H2
InChIKeyHLHWIOJNLVFCCV-UHFFFAOYSA-N
XLogP1.48
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile
CID 82813622
3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile
CID 82828614
3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 102746886
3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile
CID 82812776
3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile
CID 103282880
3-(2,2,2-trifluoroethoxy)pyridazin-4-amine
CID 155595160
3-amino-2-cyclopentyloxypyridine-4-carbonitrile
CID 82812658
3-amino-2-[2-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbonitrile
CID 118094673
2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile
CID 107061678
3-(2,2,3,3-tetrafluoropropoxy)pyridazine-4-carbonitrile
CID 80510710
3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile
CID 82813718
3-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carbonitrile
CID 82813947

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile (CID 82812758) is 3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile is N#Cc1ccnc(OCC(F)(F)F)c1N.
What is the InChIKey of 3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile?
The InChIKey is HLHWIOJNLVFCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O/c9-8(10,11)4-15-7-6(13)5(3-12)1-2-14-7/h1-2H,4,13H2.
What are the key properties of 3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile?
3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile has a molecular weight of 217.15 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 82812758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).