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

C16H12F3N3O2 — CID 72696488

IUPAC5-acetyl-4-amino-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
SMILESCC(=O)c1c(C)nc(Oc2cccc(C(F)(F)F)c2)c(C#N)c1N
InChIInChI=1S/C16H12F3N3O2/c1-8-13(9(2)23)14(21)12(7-20)15(22-8)24-11-5-3-4-10(6-11)16(17,18)19/h3-6H,1-2H3,(H2,21,22)
InChIKeyKJLXSRFKMQECGX-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.86
Rot. Bonds3

About 5-acetyl-4-amino-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile

5-acetyl-4-amino-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile (PubChem CID 72696488) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 5-acetyl-4-amino-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-4-amino-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
PubChem CID72696488
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name5-acetyl-4-amino-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
SMILESCC(=O)c1c(C)nc(Oc2cccc(C(F)(F)F)c2)c(C#N)c1N
InChIInChI=1S/C16H12F3N3O2/c1-8-13(9(2)23)14(21)12(7-20)15(22-8)24-11-5-3-4-10(6-11)16(17,18)19/h3-6H,1-2H3,(H2,21,22)
InChIKeyKJLXSRFKMQECGX-UHFFFAOYSA-N
XLogP3.86
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-2-(3-chlorophenyl)-5-cyano-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 72696742
methyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate
CID 45104903
ethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 2786761
ethyl 5-cyano-2-phenyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 2769127
1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone
CID 170916930
2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80988288
ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
CID 133056470
5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 81446828
2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride
CID 15104281
3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile
CID 80510221
[4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol
CID 61255509
ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 66825644

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-4-amino-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile (CID 72696488) is 5-acetyl-4-amino-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-4-amino-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-4-amino-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile is CC(=O)c1c(C)nc(Oc2cccc(C(F)(F)F)c2)c(C#N)c1N.
What is the InChIKey of 5-acetyl-4-amino-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
The InChIKey is KJLXSRFKMQECGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-8-13(9(2)23)14(21)12(7-20)15(22-8)24-11-5-3-4-10(6-11)16(17,18)19/h3-6H,1-2H3,(H2,21,22).
What are the key properties of 5-acetyl-4-amino-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile?
5-acetyl-4-amino-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile has a molecular weight of 335.29 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 72696488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).