2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-methoxy-6-methylpyridine

C15H13Cl2NO — CID 18763226

IUPAC2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-methoxy-6-methylpyridine
SMILESCOc1ccc(C)nc1/C=C/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H13Cl2NO/c1-10-3-6-15(19-2)14(18-10)5-4-11-7-12(16)9-13(17)8-11/h3-9H,1-2H3/b5-4+
InChIKeyIOUORNUTDCWVPG-SNAWJCMRSA-N
MW294.18 g/mol
LogP4.88
Rot. Bonds3

About 2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-methoxy-6-methylpyridine

2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-methoxy-6-methylpyridine (PubChem CID 18763226) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-methoxy-6-methylpyridine.

Molecular Properties

Compound Name2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-methoxy-6-methylpyridine
PubChem CID18763226
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-methoxy-6-methylpyridine
SMILESCOc1ccc(C)nc1/C=C/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H13Cl2NO/c1-10-3-6-15(19-2)14(18-10)5-4-11-7-12(16)9-13(17)8-11/h3-9H,1-2H3/b5-4+
InChIKeyIOUORNUTDCWVPG-SNAWJCMRSA-N
XLogP4.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-methoxy-6-methylpyridine?
The IUPAC name of 2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-methoxy-6-methylpyridine (CID 18763226) is 2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-methoxy-6-methylpyridine.
What is the SMILES notation for 2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-methoxy-6-methylpyridine?
The canonical SMILES for 2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-methoxy-6-methylpyridine is COc1ccc(C)nc1/C=C/c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-methoxy-6-methylpyridine?
The InChIKey is IOUORNUTDCWVPG-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-10-3-6-15(19-2)14(18-10)5-4-11-7-12(16)9-13(17)8-11/h3-9H,1-2H3/b5-4+.
What are the key properties of 2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-methoxy-6-methylpyridine?
2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-methoxy-6-methylpyridine has a molecular weight of 294.18 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-methoxy-6-methylpyridine is sourced from PubChem (CID 18763226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).