3-bromo-5-fluoro-5-methyl-6,8-dihydropyrano[3,4-b]pyridine

C9H9BrFNO — CID 156818786

IUPAC3-bromo-5-fluoro-5-methyl-6,8-dihydropyrano[3,4-b]pyridine
SMILESCC1(F)COCc2ncc(Br)cc21
InChIInChI=1S/C9H9BrFNO/c1-9(11)5-13-4-8-7(9)2-6(10)3-12-8/h2-3H,4-5H2,1H3
InChIKeyHZVGWFPWVZINJI-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.56
Rot. Bonds

About 3-bromo-5-fluoro-5-methyl-6,8-dihydropyrano[3,4-b]pyridine

3-bromo-5-fluoro-5-methyl-6,8-dihydropyrano[3,4-b]pyridine (PubChem CID 156818786) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 3-bromo-5-fluoro-5-methyl-6,8-dihydropyrano[3,4-b]pyridine.

Molecular Properties

Compound Name3-bromo-5-fluoro-5-methyl-6,8-dihydropyrano[3,4-b]pyridine
PubChem CID156818786
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name3-bromo-5-fluoro-5-methyl-6,8-dihydropyrano[3,4-b]pyridine
SMILESCC1(F)COCc2ncc(Br)cc21
InChIInChI=1S/C9H9BrFNO/c1-9(11)5-13-4-8-7(9)2-6(10)3-12-8/h2-3H,4-5H2,1H3
InChIKeyHZVGWFPWVZINJI-UHFFFAOYSA-N
XLogP2.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-5-methyl-6,8-dihydropyrano[3,4-b]pyridine?
The IUPAC name of 3-bromo-5-fluoro-5-methyl-6,8-dihydropyrano[3,4-b]pyridine (CID 156818786) is 3-bromo-5-fluoro-5-methyl-6,8-dihydropyrano[3,4-b]pyridine.
What is the SMILES notation for 3-bromo-5-fluoro-5-methyl-6,8-dihydropyrano[3,4-b]pyridine?
The canonical SMILES for 3-bromo-5-fluoro-5-methyl-6,8-dihydropyrano[3,4-b]pyridine is CC1(F)COCc2ncc(Br)cc21.
What is the InChIKey of 3-bromo-5-fluoro-5-methyl-6,8-dihydropyrano[3,4-b]pyridine?
The InChIKey is HZVGWFPWVZINJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-9(11)5-13-4-8-7(9)2-6(10)3-12-8/h2-3H,4-5H2,1H3.
What are the key properties of 3-bromo-5-fluoro-5-methyl-6,8-dihydropyrano[3,4-b]pyridine?
3-bromo-5-fluoro-5-methyl-6,8-dihydropyrano[3,4-b]pyridine has a molecular weight of 246.08 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-5-methyl-6,8-dihydropyrano[3,4-b]pyridine is sourced from PubChem (CID 156818786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).