3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine

C27H24ClNO4 — CID 58373859

IUPAC3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine
SMILESCOc1ccc(COc2ccc(-c3cccnc3)c(Cl)c2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C27H24ClNO4/c1-30-22-9-5-19(6-10-22)17-32-25-14-13-24(21-4-3-15-29-16-21)26(28)27(25)33-18-20-7-11-23(31-2)12-8-20/h3-16H,17-18H2,1-2H3
InChIKeyQVMXSFBVFKSJEM-UHFFFAOYSA-N
MW461.95 g/mol
LogP6.58
Rot. Bonds9

About 3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine

3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine (PubChem CID 58373859) has the molecular formula C27H24ClNO4 and a molecular weight of 461.95 g/mol. Its IUPAC name is 3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine.

Molecular Properties

Compound Name3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine
PubChem CID58373859
Molecular FormulaC27H24ClNO4
Molecular Weight461.95 g/mol
Exact Mass461.14
IUPAC Name3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine
SMILESCOc1ccc(COc2ccc(-c3cccnc3)c(Cl)c2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C27H24ClNO4/c1-30-22-9-5-19(6-10-22)17-32-25-14-13-24(21-4-3-15-29-16-21)26(28)27(25)33-18-20-7-11-23(31-2)12-8-20/h3-16H,17-18H2,1-2H3
InChIKeyQVMXSFBVFKSJEM-UHFFFAOYSA-N
XLogP6.58
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine?
The IUPAC name of 3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine (CID 58373859) is 3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine.
What is the SMILES notation for 3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine?
The canonical SMILES for 3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine is COc1ccc(COc2ccc(-c3cccnc3)c(Cl)c2OCc2ccc(OC)cc2)cc1.
What is the InChIKey of 3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine?
The InChIKey is QVMXSFBVFKSJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClNO4/c1-30-22-9-5-19(6-10-22)17-32-25-14-13-24(21-4-3-15-29-16-21)26(28)27(25)33-18-20-7-11-23(31-2)12-8-20/h3-16H,17-18H2,1-2H3.
What are the key properties of 3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine?
3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine has a molecular weight of 461.95 g/mol, XLogP of 6.58, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine is sourced from PubChem (CID 58373859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).