3-[(2-chlorophenyl)-(4-chlorophenyl)-methoxymethyl]pyridine

C19H15Cl2NO — CID 56672771

IUPAC3-[(2-chlorophenyl)-(4-chlorophenyl)-methoxymethyl]pyridine
SMILESCOC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl
InChIInChI=1S/C19H15Cl2NO/c1-23-19(15-5-4-12-22-13-15,14-8-10-16(20)11-9-14)17-6-2-3-7-18(17)21/h2-13H,1H3
InChIKeyFJKPYZLCKNOVRG-UHFFFAOYSA-N
MW344.24 g/mol
LogP5.33
Rot. Bonds4

About 3-[(2-chlorophenyl)-(4-chlorophenyl)-methoxymethyl]pyridine

3-[(2-chlorophenyl)-(4-chlorophenyl)-methoxymethyl]pyridine (PubChem CID 56672771) has the molecular formula C19H15Cl2NO and a molecular weight of 344.24 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)-(4-chlorophenyl)-methoxymethyl]pyridine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)-(4-chlorophenyl)-methoxymethyl]pyridine
PubChem CID56672771
Molecular FormulaC19H15Cl2NO
Molecular Weight344.24 g/mol
Exact Mass343.05
IUPAC Name3-[(2-chlorophenyl)-(4-chlorophenyl)-methoxymethyl]pyridine
SMILESCOC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl
InChIInChI=1S/C19H15Cl2NO/c1-23-19(15-5-4-12-22-13-15,14-8-10-16(20)11-9-14)17-6-2-3-7-18(17)21/h2-13H,1H3
InChIKeyFJKPYZLCKNOVRG-UHFFFAOYSA-N
XLogP5.33
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 ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)-(4-chlorophenyl)-methoxymethyl]pyridine?
The IUPAC name of 3-[(2-chlorophenyl)-(4-chlorophenyl)-methoxymethyl]pyridine (CID 56672771) is 3-[(2-chlorophenyl)-(4-chlorophenyl)-methoxymethyl]pyridine.
What is the SMILES notation for 3-[(2-chlorophenyl)-(4-chlorophenyl)-methoxymethyl]pyridine?
The canonical SMILES for 3-[(2-chlorophenyl)-(4-chlorophenyl)-methoxymethyl]pyridine is COC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)-(4-chlorophenyl)-methoxymethyl]pyridine?
The InChIKey is FJKPYZLCKNOVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO/c1-23-19(15-5-4-12-22-13-15,14-8-10-16(20)11-9-14)17-6-2-3-7-18(17)21/h2-13H,1H3.
What are the key properties of 3-[(2-chlorophenyl)-(4-chlorophenyl)-methoxymethyl]pyridine?
3-[(2-chlorophenyl)-(4-chlorophenyl)-methoxymethyl]pyridine has a molecular weight of 344.24 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)-(4-chlorophenyl)-methoxymethyl]pyridine is sourced from PubChem (CID 56672771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).