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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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).