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

C13H7F4N3O — CID 103469823

IUPAC5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cnc(Oc2ccc(F)c(C(F)(F)F)c2)c(N)c1
InChIInChI=1S/C13H7F4N3O/c14-10-2-1-8(4-9(10)13(15,16)17)21-12-11(19)3-7(5-18)6-20-12/h1-4,6H,19H2
InChIKeyFXIWCPLPYDJDCL-UHFFFAOYSA-N
MW297.21 g/mol
LogP3.49
Rot. Bonds2

About 5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile

5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile (PubChem CID 103469823) has the molecular formula C13H7F4N3O and a molecular weight of 297.21 g/mol. Its IUPAC name is 5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
PubChem CID103469823
Molecular FormulaC13H7F4N3O
Molecular Weight297.21 g/mol
Exact Mass297.05
IUPAC Name5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cnc(Oc2ccc(F)c(C(F)(F)F)c2)c(N)c1
InChIInChI=1S/C13H7F4N3O/c14-10-2-1-8(4-9(10)13(15,16)17)21-12-11(19)3-7(5-18)6-20-12/h1-4,6H,19H2
InChIKeyFXIWCPLPYDJDCL-UHFFFAOYSA-N
XLogP3.49
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746895
5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile
CID 103469739
3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 102746886
5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile
CID 103469462
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine
CID 11360535
5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile
CID 103469582
5-amino-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469460
5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469450
5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile
CID 103469680
5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 103583775
5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 102747880
2-bromo-4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 86637885

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile (CID 103469823) is 5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile is N#Cc1cnc(Oc2ccc(F)c(C(F)(F)F)c2)c(N)c1.
What is the InChIKey of 5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The InChIKey is FXIWCPLPYDJDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4N3O/c14-10-2-1-8(4-9(10)13(15,16)17)21-12-11(19)3-7(5-18)6-20-12/h1-4,6H,19H2.
What are the key properties of 5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile has a molecular weight of 297.21 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 103469823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).