5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-[(2,6-difluorophenyl)methoxy]pyridine

C20H13F4NO3 — CID 71105472

IUPAC5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-[(2,6-difluorophenyl)methoxy]pyridine
SMILESCc1cc2c(cc1-c1ccc(OCc3c(F)cccc3F)nc1)OC(F)(F)O2
InChIInChI=1S/C20H13F4NO3/c1-11-7-17-18(28-20(23,24)27-17)8-13(11)12-5-6-19(25-9-12)26-10-14-15(21)3-2-4-16(14)22/h2-9H,10H2,1H3
InChIKeyRLWOGUVPDMOQQN-UHFFFAOYSA-N
MW391.32 g/mol
LogP5.24
Rot. Bonds4

About 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-[(2,6-difluorophenyl)methoxy]pyridine

5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-[(2,6-difluorophenyl)methoxy]pyridine (PubChem CID 71105472) has the molecular formula C20H13F4NO3 and a molecular weight of 391.32 g/mol. Its IUPAC name is 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-[(2,6-difluorophenyl)methoxy]pyridine.

Molecular Properties

Compound Name5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-[(2,6-difluorophenyl)methoxy]pyridine
PubChem CID71105472
Molecular FormulaC20H13F4NO3
Molecular Weight391.32 g/mol
Exact Mass391.08
IUPAC Name5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-[(2,6-difluorophenyl)methoxy]pyridine
SMILESCc1cc2c(cc1-c1ccc(OCc3c(F)cccc3F)nc1)OC(F)(F)O2
InChIInChI=1S/C20H13F4NO3/c1-11-7-17-18(28-20(23,24)27-17)8-13(11)12-5-6-19(25-9-12)26-10-14-15(21)3-2-4-16(14)22/h2-9H,10H2,1H3
InChIKeyRLWOGUVPDMOQQN-UHFFFAOYSA-N
XLogP5.24
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.32
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-[(2,6-difluorophenyl)methoxy]pyridine?
The IUPAC name of 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-[(2,6-difluorophenyl)methoxy]pyridine (CID 71105472) is 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-[(2,6-difluorophenyl)methoxy]pyridine.
What is the SMILES notation for 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-[(2,6-difluorophenyl)methoxy]pyridine?
The canonical SMILES for 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-[(2,6-difluorophenyl)methoxy]pyridine is Cc1cc2c(cc1-c1ccc(OCc3c(F)cccc3F)nc1)OC(F)(F)O2.
What is the InChIKey of 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-[(2,6-difluorophenyl)methoxy]pyridine?
The InChIKey is RLWOGUVPDMOQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4NO3/c1-11-7-17-18(28-20(23,24)27-17)8-13(11)12-5-6-19(25-9-12)26-10-14-15(21)3-2-4-16(14)22/h2-9H,10H2,1H3.
What are the key properties of 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-[(2,6-difluorophenyl)methoxy]pyridine?
5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-[(2,6-difluorophenyl)methoxy]pyridine has a molecular weight of 391.32 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-[(2,6-difluorophenyl)methoxy]pyridine is sourced from PubChem (CID 71105472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).