3-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]pyridine

C19H15Cl2NO — CID 42851689

IUPAC3-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]pyridine
SMILESCc1ccccc1OCc1cncc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H15Cl2NO/c1-13-4-2-3-5-19(13)23-12-14-8-16(11-22-10-14)15-6-7-17(20)18(21)9-15/h2-11H,12H2,1H3
InChIKeyDXDLXZGBVQJNKK-UHFFFAOYSA-N
MW344.24 g/mol
LogP5.94
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]pyridine

3-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]pyridine (PubChem CID 42851689) has the molecular formula C19H15Cl2NO and a molecular weight of 344.24 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]pyridine
PubChem CID42851689
Molecular FormulaC19H15Cl2NO
Molecular Weight344.24 g/mol
Exact Mass343.05
IUPAC Name3-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]pyridine
SMILESCc1ccccc1OCc1cncc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H15Cl2NO/c1-13-4-2-3-5-19(13)23-12-14-8-16(11-22-10-14)15-6-7-17(20)18(21)9-15/h2-11H,12H2,1H3
InChIKeyDXDLXZGBVQJNKK-UHFFFAOYSA-N
XLogP5.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.24
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]pyridine?
The IUPAC name of 3-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]pyridine (CID 42851689) is 3-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]pyridine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]pyridine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]pyridine is Cc1ccccc1OCc1cncc(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]pyridine?
The InChIKey is DXDLXZGBVQJNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO/c1-13-4-2-3-5-19(13)23-12-14-8-16(11-22-10-14)15-6-7-17(20)18(21)9-15/h2-11H,12H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]pyridine?
3-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]pyridine has a molecular weight of 344.24 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]pyridine is sourced from PubChem (CID 42851689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).