3,3-difluoro-7-methyl-2H-[1,4]dioxino[2,3-c]pyridine

C8H7F2NO2 — CID 163779375

IUPAC3,3-difluoro-7-methyl-2H-[1,4]dioxino[2,3-c]pyridine
SMILESCc1cc2c(cn1)OC(F)(F)CO2
InChIInChI=1S/C8H7F2NO2/c1-5-2-6-7(3-11-5)13-8(9,10)4-12-6/h2-3H,4H2,1H3
InChIKeyMNIAFTQVUICDRS-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.75
Rot. Bonds

About 3,3-difluoro-7-methyl-2H-[1,4]dioxino[2,3-c]pyridine

3,3-difluoro-7-methyl-2H-[1,4]dioxino[2,3-c]pyridine (PubChem CID 163779375) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 3,3-difluoro-7-methyl-2H-[1,4]dioxino[2,3-c]pyridine.

Molecular Properties

Compound Name3,3-difluoro-7-methyl-2H-[1,4]dioxino[2,3-c]pyridine
PubChem CID163779375
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name3,3-difluoro-7-methyl-2H-[1,4]dioxino[2,3-c]pyridine
SMILESCc1cc2c(cn1)OC(F)(F)CO2
InChIInChI=1S/C8H7F2NO2/c1-5-2-6-7(3-11-5)13-8(9,10)4-12-6/h2-3H,4H2,1H3
InChIKeyMNIAFTQVUICDRS-UHFFFAOYSA-N
XLogP1.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-7-methyl-2H-[1,4]dioxino[2,3-c]pyridine?
The IUPAC name of 3,3-difluoro-7-methyl-2H-[1,4]dioxino[2,3-c]pyridine (CID 163779375) is 3,3-difluoro-7-methyl-2H-[1,4]dioxino[2,3-c]pyridine.
What is the SMILES notation for 3,3-difluoro-7-methyl-2H-[1,4]dioxino[2,3-c]pyridine?
The canonical SMILES for 3,3-difluoro-7-methyl-2H-[1,4]dioxino[2,3-c]pyridine is Cc1cc2c(cn1)OC(F)(F)CO2.
What is the InChIKey of 3,3-difluoro-7-methyl-2H-[1,4]dioxino[2,3-c]pyridine?
The InChIKey is MNIAFTQVUICDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-5-2-6-7(3-11-5)13-8(9,10)4-12-6/h2-3H,4H2,1H3.
What are the key properties of 3,3-difluoro-7-methyl-2H-[1,4]dioxino[2,3-c]pyridine?
3,3-difluoro-7-methyl-2H-[1,4]dioxino[2,3-c]pyridine has a molecular weight of 187.15 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-7-methyl-2H-[1,4]dioxino[2,3-c]pyridine is sourced from PubChem (CID 163779375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).