4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine

C18H13ClFNO — CID 15453448

IUPAC4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine
SMILESCOc1ccc(-c2ccncc2)cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H13ClFNO/c1-22-18-5-3-13(12-6-8-21-9-7-12)10-15(18)14-2-4-17(20)16(19)11-14/h2-11H,1H3
InChIKeyRZAWQVKLISXJMS-UHFFFAOYSA-N
MW313.76 g/mol
LogP5.22
Rot. Bonds3

About 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine

4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine (PubChem CID 15453448) has the molecular formula C18H13ClFNO and a molecular weight of 313.76 g/mol. Its IUPAC name is 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine.

Molecular Properties

Compound Name4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine
PubChem CID15453448
Molecular FormulaC18H13ClFNO
Molecular Weight313.76 g/mol
Exact Mass313.07
IUPAC Name4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine
SMILESCOc1ccc(-c2ccncc2)cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H13ClFNO/c1-22-18-5-3-13(12-6-8-21-9-7-12)10-15(18)14-2-4-17(20)16(19)11-14/h2-11H,1H3
InChIKeyRZAWQVKLISXJMS-UHFFFAOYSA-N
XLogP5.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.76
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine?
The IUPAC name of 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine (CID 15453448) is 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine.
What is the SMILES notation for 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine?
The canonical SMILES for 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine is COc1ccc(-c2ccncc2)cc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine?
The InChIKey is RZAWQVKLISXJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO/c1-22-18-5-3-13(12-6-8-21-9-7-12)10-15(18)14-2-4-17(20)16(19)11-14/h2-11H,1H3.
What are the key properties of 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine?
4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine has a molecular weight of 313.76 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine is sourced from PubChem (CID 15453448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).