8-bromo-6-methyl-4H-pyrano[3,2-c]pyridine-3,5-dione

C9H8BrNO3 — CID 157433865

IUPAC8-bromo-6-methyl-4H-pyrano[3,2-c]pyridine-3,5-dione
SMILESCn1cc(Br)c2c(c1=O)CC(=O)CO2
InChIInChI=1S/C9H8BrNO3/c1-11-3-7(10)8-6(9(11)13)2-5(12)4-14-8/h3H,2,4H2,1H3
InChIKeyPFNASVLQUVYWCK-UHFFFAOYSA-N
MW258.07 g/mol
LogP0.65
Rot. Bonds

About 8-bromo-6-methyl-4H-pyrano[3,2-c]pyridine-3,5-dione

8-bromo-6-methyl-4H-pyrano[3,2-c]pyridine-3,5-dione (PubChem CID 157433865) has the molecular formula C9H8BrNO3 and a molecular weight of 258.07 g/mol. Its IUPAC name is 8-bromo-6-methyl-4H-pyrano[3,2-c]pyridine-3,5-dione.

Molecular Properties

Compound Name8-bromo-6-methyl-4H-pyrano[3,2-c]pyridine-3,5-dione
PubChem CID157433865
Molecular FormulaC9H8BrNO3
Molecular Weight258.07 g/mol
Exact Mass256.97
IUPAC Name8-bromo-6-methyl-4H-pyrano[3,2-c]pyridine-3,5-dione
SMILESCn1cc(Br)c2c(c1=O)CC(=O)CO2
InChIInChI=1S/C9H8BrNO3/c1-11-3-7(10)8-6(9(11)13)2-5(12)4-14-8/h3H,2,4H2,1H3
InChIKeyPFNASVLQUVYWCK-UHFFFAOYSA-N
XLogP0.65
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 118021767
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CID 154671597
8-bromo-N,N,6-trimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
CID 154671801
4-bromo-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethyl-7H-cyclopenta[c]pyridin-1-one
CID 158346488
carbon dioxide;5-methyl-4H-chromen-3-one
CID 123220756
6,9-dimethyl-1,5-benzodioxepin-3-one
CID 16757234
4-bromo-7-methyl-1-benzofuran-3-one
CID 107285253
6-bromo-4,7,8-trimethyl-1,4-benzoxazin-3-one
CID 82233498
5-bromo-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyridin-2-one
CID 145148226
4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 90351143
7-bromo-2,5-dimethylthieno[3,2-c]pyridin-4-one
CID 144628500
4-bromo-2,5-dimethylisoquinolin-1-one
CID 134258730

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-methyl-4H-pyrano[3,2-c]pyridine-3,5-dione?
The IUPAC name of 8-bromo-6-methyl-4H-pyrano[3,2-c]pyridine-3,5-dione (CID 157433865) is 8-bromo-6-methyl-4H-pyrano[3,2-c]pyridine-3,5-dione.
What is the SMILES notation for 8-bromo-6-methyl-4H-pyrano[3,2-c]pyridine-3,5-dione?
The canonical SMILES for 8-bromo-6-methyl-4H-pyrano[3,2-c]pyridine-3,5-dione is Cn1cc(Br)c2c(c1=O)CC(=O)CO2.
What is the InChIKey of 8-bromo-6-methyl-4H-pyrano[3,2-c]pyridine-3,5-dione?
The InChIKey is PFNASVLQUVYWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO3/c1-11-3-7(10)8-6(9(11)13)2-5(12)4-14-8/h3H,2,4H2,1H3.
What are the key properties of 8-bromo-6-methyl-4H-pyrano[3,2-c]pyridine-3,5-dione?
8-bromo-6-methyl-4H-pyrano[3,2-c]pyridine-3,5-dione has a molecular weight of 258.07 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-methyl-4H-pyrano[3,2-c]pyridine-3,5-dione is sourced from PubChem (CID 157433865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).