3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile

C13H8F3N3O — CID 103469607

IUPAC3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
SMILESN#Cc1nc(Oc2ccc(C(F)(F)F)cc2)ccc1N
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)8-1-3-9(4-2-8)20-12-6-5-10(18)11(7-17)19-12/h1-6H,18H2
InChIKeyCYXWCFVPLMVNKL-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.35
Rot. Bonds2

About 3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile

3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile (PubChem CID 103469607) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is 3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
PubChem CID103469607
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
SMILESN#Cc1nc(Oc2ccc(C(F)(F)F)cc2)ccc1N
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)8-1-3-9(4-2-8)20-12-6-5-10(18)11(7-17)19-12/h1-6H,18H2
InChIKeyCYXWCFVPLMVNKL-UHFFFAOYSA-N
XLogP3.35
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile
CID 103467409
3-amino-6-(3-bromophenoxy)pyridine-2-carbonitrile
CID 103469480
4-[(5-amino-6-cyano-2-pyridinyl)oxy]-2-fluorobenzamide
CID 103469765
4-amino-3-[4-(trifluoromethyl)phenoxy]benzonitrile
CID 104712583
3-amino-6-[(5-chloro-3-pyridinyl)oxy]pyridine-2-carbonitrile
CID 103469729
3-amino-6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonitrile
CID 103469587
2-[4-(trifluoromethyl)phenoxy]quinoline-4-carbonitrile
CID 135374130
3-(4-fluorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 1478730
6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80862607
3-amino-6-propoxypyridine-2-carbonitrile
CID 103469634
2-[(5-amino-6-cyano-2-pyridinyl)oxy]benzamide
CID 103469546
1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine
CID 62287891

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile (CID 103469607) is 3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile is N#Cc1nc(Oc2ccc(C(F)(F)F)cc2)ccc1N.
What is the InChIKey of 3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile?
The InChIKey is CYXWCFVPLMVNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-13(15,16)8-1-3-9(4-2-8)20-12-6-5-10(18)11(7-17)19-12/h1-6H,18H2.
What are the key properties of 3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile?
3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile has a molecular weight of 279.22 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 103469607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).