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

C19H16ClNO — CID 3066123

IUPAC3-[[4-(3-chlorophenyl)phenyl]methoxymethyl]pyridine
SMILESClc1cccc(-c2ccc(COCc3cccnc3)cc2)c1
InChIInChI=1S/C19H16ClNO/c20-19-5-1-4-18(11-19)17-8-6-15(7-9-17)13-22-14-16-3-2-10-21-12-16/h1-12H,13-14H2
InChIKeyOEJIYVVTWVYMKH-UHFFFAOYSA-N
MW309.80 g/mol
LogP5.12
Rot. Bonds5

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

3-[[4-(3-chlorophenyl)phenyl]methoxymethyl]pyridine (PubChem CID 3066123) has the molecular formula C19H16ClNO and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-[[4-(3-chlorophenyl)phenyl]methoxymethyl]pyridine.

Molecular Properties

Compound Name3-[[4-(3-chlorophenyl)phenyl]methoxymethyl]pyridine
PubChem CID3066123
Molecular FormulaC19H16ClNO
Molecular Weight309.80 g/mol
Exact Mass309.09
IUPAC Name3-[[4-(3-chlorophenyl)phenyl]methoxymethyl]pyridine
SMILESClc1cccc(-c2ccc(COCc3cccnc3)cc2)c1
InChIInChI=1S/C19H16ClNO/c20-19-5-1-4-18(11-19)17-8-6-15(7-9-17)13-22-14-16-3-2-10-21-12-16/h1-12H,13-14H2
InChIKeyOEJIYVVTWVYMKH-UHFFFAOYSA-N
XLogP5.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.80
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-chlorophenyl)phenyl]methoxymethyl]pyridine?
The IUPAC name of 3-[[4-(3-chlorophenyl)phenyl]methoxymethyl]pyridine (CID 3066123) is 3-[[4-(3-chlorophenyl)phenyl]methoxymethyl]pyridine.
What is the SMILES notation for 3-[[4-(3-chlorophenyl)phenyl]methoxymethyl]pyridine?
The canonical SMILES for 3-[[4-(3-chlorophenyl)phenyl]methoxymethyl]pyridine is Clc1cccc(-c2ccc(COCc3cccnc3)cc2)c1.
What is the InChIKey of 3-[[4-(3-chlorophenyl)phenyl]methoxymethyl]pyridine?
The InChIKey is OEJIYVVTWVYMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO/c20-19-5-1-4-18(11-19)17-8-6-15(7-9-17)13-22-14-16-3-2-10-21-12-16/h1-12H,13-14H2.
What are the key properties of 3-[[4-(3-chlorophenyl)phenyl]methoxymethyl]pyridine?
3-[[4-(3-chlorophenyl)phenyl]methoxymethyl]pyridine has a molecular weight of 309.80 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-chlorophenyl)phenyl]methoxymethyl]pyridine is sourced from PubChem (CID 3066123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).