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

C13H7F4N3O — CID 102746886

IUPAC3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2ccc(F)c(C(F)(F)F)c2)c1N
InChIInChI=1S/C13H7F4N3O/c14-10-2-1-8(5-9(10)13(15,16)17)21-12-11(19)7(6-18)3-4-20-12/h1-5H,19H2
InChIKeySEUFZJCJICNOLV-UHFFFAOYSA-N
MW297.21 g/mol
LogP3.49
Rot. Bonds2

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

3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile (PubChem CID 102746886) has the molecular formula C13H7F4N3O and a molecular weight of 297.21 g/mol. Its IUPAC name is 3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
PubChem CID102746886
Molecular FormulaC13H7F4N3O
Molecular Weight297.21 g/mol
Exact Mass297.05
IUPAC Name3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2ccc(F)c(C(F)(F)F)c2)c1N
InChIInChI=1S/C13H7F4N3O/c14-10-2-1-8(5-9(10)13(15,16)17)21-12-11(19)7(6-18)3-4-20-12/h1-5H,19H2
InChIKeySEUFZJCJICNOLV-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-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 103469823
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine
CID 11360535
3-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carbonitrile
CID 82813947
5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746895
2-bromo-4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 86637885
3-amino-2-(3-iodophenoxy)pyridine-4-carbonitrile
CID 82812989
3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile
CID 82812758
4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 102747282
4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-2-(furan-2-yl)pyrimidin-5-amine
CID 24891223
4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 11246357
3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile
CID 107059136
methyl N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanimidate
CID 139917700

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile (CID 102746886) is 3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile is N#Cc1ccnc(Oc2ccc(F)c(C(F)(F)F)c2)c1N.
What is the InChIKey of 3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile?
The InChIKey is SEUFZJCJICNOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4N3O/c14-10-2-1-8(5-9(10)13(15,16)17)21-12-11(19)7(6-18)3-4-20-12/h1-5H,19H2.
What are the key properties of 3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile?
3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-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 3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 102746886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).