2-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine-3-carbonitrile

C15H12Cl2N2O2 — CID 44620881

IUPAC2-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(OCCOc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H12Cl2N2O2/c1-10-2-3-11(9-18)15(19-10)21-7-6-20-14-5-4-12(16)8-13(14)17/h2-5,8H,6-7H2,1H3
InChIKeyWRSBCBJQPRBZEA-UHFFFAOYSA-N
MW323.18 g/mol
LogP4.03
Rot. Bonds5

About 2-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine-3-carbonitrile

2-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine-3-carbonitrile (PubChem CID 44620881) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine-3-carbonitrile
PubChem CID44620881
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC Name2-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(OCCOc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H12Cl2N2O2/c1-10-2-3-11(9-18)15(19-10)21-7-6-20-14-5-4-12(16)8-13(14)17/h2-5,8H,6-7H2,1H3
InChIKeyWRSBCBJQPRBZEA-UHFFFAOYSA-N
XLogP4.03
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine-3-carbonitrile (CID 44620881) is 2-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(OCCOc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine-3-carbonitrile?
The InChIKey is WRSBCBJQPRBZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c1-10-2-3-11(9-18)15(19-10)21-7-6-20-14-5-4-12(16)8-13(14)17/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine-3-carbonitrile?
2-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine-3-carbonitrile has a molecular weight of 323.18 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 44620881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).