4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-3,5-dimethylbenzonitrile

C14H11Cl2N3O — CID 102760990

IUPAC4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-3,5-dimethylbenzonitrile
SMILESCc1cc(C#N)cc(C)c1Oc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O/c1-7-3-9(6-17)4-8(2)12(7)20-14-11(16)5-10(15)13(18)19-14/h3-5H,1-2H3,(H2,18,19)
InChIKeyRGRRQGFFUVAEOR-UHFFFAOYSA-N
MW308.17 g/mol
LogP4.25
Rot. Bonds2

About 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-3,5-dimethylbenzonitrile

4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-3,5-dimethylbenzonitrile (PubChem CID 102760990) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-3,5-dimethylbenzonitrile.

Molecular Properties

Compound Name4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-3,5-dimethylbenzonitrile
PubChem CID102760990
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-3,5-dimethylbenzonitrile
SMILESCc1cc(C#N)cc(C)c1Oc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O/c1-7-3-9(6-17)4-8(2)12(7)20-14-11(16)5-10(15)13(18)19-14/h3-5H,1-2H3,(H2,18,19)
InChIKeyRGRRQGFFUVAEOR-UHFFFAOYSA-N
XLogP4.25
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile
CID 80862922
5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
CID 81447521
4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
CID 102761068
[4-(4-cyano-2,6-dimethylphenoxy)-2-methylpyrimidin-5-yl] thiohypofluorite
CID 142095702
3,5-dichloro-6-(2-methyl-4-nitrophenoxy)pyridin-2-amine
CID 102761149
4-[5-bromo-6-chloro-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
CID 11751416
4-[[5-chloro-4-(2,4,6-trimethylphenoxy)pyrimidin-2-yl]amino]benzonitrile
CID 22170104
3,5-dichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridin-2-amine
CID 102760807
3,5-dimethyl-4-trimethylsilyloxybenzonitrile
CID 167714450
3-methoxy-5-[(3,5,6-trichloro-2-pyridinyl)oxy]benzonitrile
CID 103566717
3,5-dichloro-6-(2,5-dimethylpyrazol-3-yl)oxypyridin-2-amine
CID 102761083
methyl 2-chloro-6-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carboxylate
CID 58974943

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-3,5-dimethylbenzonitrile?
The IUPAC name of 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-3,5-dimethylbenzonitrile (CID 102760990) is 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-3,5-dimethylbenzonitrile.
What is the SMILES notation for 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-3,5-dimethylbenzonitrile?
The canonical SMILES for 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-3,5-dimethylbenzonitrile is Cc1cc(C#N)cc(C)c1Oc1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-3,5-dimethylbenzonitrile?
The InChIKey is RGRRQGFFUVAEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c1-7-3-9(6-17)4-8(2)12(7)20-14-11(16)5-10(15)13(18)19-14/h3-5H,1-2H3,(H2,18,19).
What are the key properties of 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-3,5-dimethylbenzonitrile?
4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-3,5-dimethylbenzonitrile has a molecular weight of 308.17 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-3,5-dimethylbenzonitrile is sourced from PubChem (CID 102760990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).