5-bromo-2-(difluoromethoxy)-3-methyl-1,2-dihydropyridine

C7H8BrF2NO — CID 146597858

IUPAC5-bromo-2-(difluoromethoxy)-3-methyl-1,2-dihydropyridine
SMILESCC1=CC(Br)=CNC1OC(F)F
InChIInChI=1S/C7H8BrF2NO/c1-4-2-5(8)3-11-6(4)12-7(9)10/h2-3,6-7,11H,1H3
InChIKeyPPHTWSCVZNIWOJ-UHFFFAOYSA-N
MW240.05 g/mol
LogP2.34
Rot. Bonds2

About 5-bromo-2-(difluoromethoxy)-3-methyl-1,2-dihydropyridine

5-bromo-2-(difluoromethoxy)-3-methyl-1,2-dihydropyridine (PubChem CID 146597858) has the molecular formula C7H8BrF2NO and a molecular weight of 240.05 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethoxy)-3-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name5-bromo-2-(difluoromethoxy)-3-methyl-1,2-dihydropyridine
PubChem CID146597858
Molecular FormulaC7H8BrF2NO
Molecular Weight240.05 g/mol
Exact Mass238.98
IUPAC Name5-bromo-2-(difluoromethoxy)-3-methyl-1,2-dihydropyridine
SMILESCC1=CC(Br)=CNC1OC(F)F
InChIInChI=1S/C7H8BrF2NO/c1-4-2-5(8)3-11-6(4)12-7(9)10/h2-3,6-7,11H,1H3
InChIKeyPPHTWSCVZNIWOJ-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.05
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethoxy)-3-methyl-1,2-dihydropyridine?
The IUPAC name of 5-bromo-2-(difluoromethoxy)-3-methyl-1,2-dihydropyridine (CID 146597858) is 5-bromo-2-(difluoromethoxy)-3-methyl-1,2-dihydropyridine.
What is the SMILES notation for 5-bromo-2-(difluoromethoxy)-3-methyl-1,2-dihydropyridine?
The canonical SMILES for 5-bromo-2-(difluoromethoxy)-3-methyl-1,2-dihydropyridine is CC1=CC(Br)=CNC1OC(F)F.
What is the InChIKey of 5-bromo-2-(difluoromethoxy)-3-methyl-1,2-dihydropyridine?
The InChIKey is PPHTWSCVZNIWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF2NO/c1-4-2-5(8)3-11-6(4)12-7(9)10/h2-3,6-7,11H,1H3.
What are the key properties of 5-bromo-2-(difluoromethoxy)-3-methyl-1,2-dihydropyridine?
5-bromo-2-(difluoromethoxy)-3-methyl-1,2-dihydropyridine has a molecular weight of 240.05 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethoxy)-3-methyl-1,2-dihydropyridine is sourced from PubChem (CID 146597858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).