4-[(5-amino-4-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile

C14H10F3N3O — CID 115467611

IUPAC4-[(5-amino-4-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile
SMILESCc1cc(Oc2ccc(C#N)cc2C(F)(F)F)ncc1N
InChIInChI=1S/C14H10F3N3O/c1-8-4-13(20-7-11(8)19)21-12-3-2-9(6-18)5-10(12)14(15,16)17/h2-5,7H,19H2,1H3
InChIKeyDOXBIDLLEIKFBH-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.65
Rot. Bonds2

About 4-[(5-amino-4-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile

4-[(5-amino-4-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile (PubChem CID 115467611) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 4-[(5-amino-4-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[(5-amino-4-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile
PubChem CID115467611
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name4-[(5-amino-4-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile
SMILESCc1cc(Oc2ccc(C#N)cc2C(F)(F)F)ncc1N
InChIInChI=1S/C14H10F3N3O/c1-8-4-13(20-7-11(8)19)21-12-3-2-9(6-18)5-10(12)14(15,16)17/h2-5,7H,19H2,1H3
InChIKeyDOXBIDLLEIKFBH-UHFFFAOYSA-N
XLogP3.65
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile
CID 83267932
4-(5-aminopyrimidin-4-yl)oxy-3-(trifluoromethyl)benzonitrile
CID 115467627
4-(2-amino-5-chloropyrimidin-4-yl)oxy-3-(trifluoromethyl)benzonitrile
CID 115468416
4-(4-cyanophenoxy)-3-(trifluoromethyl)benzonitrile
CID 115467720
6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 115467723
6-(4-tert-butyl-2-methylphenoxy)-4-methylpyridin-3-amine
CID 79175695
6-(2,4-difluorophenoxy)-4-methylpyridin-3-amine
CID 79175877
4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile
CID 115467623
4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467910
3-amino-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
CID 61388483
4-(2-bromoethoxy)-3-(trifluoromethyl)benzonitrile
CID 115467673
4-[(5-methyl-3-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 102881178

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-4-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[(5-amino-4-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile (CID 115467611) is 4-[(5-amino-4-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[(5-amino-4-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[(5-amino-4-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile is Cc1cc(Oc2ccc(C#N)cc2C(F)(F)F)ncc1N.
What is the InChIKey of 4-[(5-amino-4-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile?
The InChIKey is DOXBIDLLEIKFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c1-8-4-13(20-7-11(8)19)21-12-3-2-9(6-18)5-10(12)14(15,16)17/h2-5,7H,19H2,1H3.
What are the key properties of 4-[(5-amino-4-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile?
4-[(5-amino-4-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile has a molecular weight of 293.25 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-4-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 115467611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).