6-bromo-2,2-dimethyl-3H-pyrano[2,3-c]pyridin-4-one

C10H10BrNO2 — CID 57466601

IUPAC6-bromo-2,2-dimethyl-3H-pyrano[2,3-c]pyridin-4-one
SMILESCC1(C)CC(=O)c2cc(Br)ncc2O1
InChIInChI=1S/C10H10BrNO2/c1-10(2)4-7(13)6-3-9(11)12-5-8(6)14-10/h3,5H,4H2,1-2H3
InChIKeyFDMSGEJHVUTEPA-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.59
Rot. Bonds

About 6-bromo-2,2-dimethyl-3H-pyrano[2,3-c]pyridin-4-one

6-bromo-2,2-dimethyl-3H-pyrano[2,3-c]pyridin-4-one (PubChem CID 57466601) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 6-bromo-2,2-dimethyl-3H-pyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name6-bromo-2,2-dimethyl-3H-pyrano[2,3-c]pyridin-4-one
PubChem CID57466601
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name6-bromo-2,2-dimethyl-3H-pyrano[2,3-c]pyridin-4-one
SMILESCC1(C)CC(=O)c2cc(Br)ncc2O1
InChIInChI=1S/C10H10BrNO2/c1-10(2)4-7(13)6-3-9(11)12-5-8(6)14-10/h3,5H,4H2,1-2H3
InChIKeyFDMSGEJHVUTEPA-UHFFFAOYSA-N
XLogP2.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

6-bromo-7-fluoro-2,2-dimethyl-3H-chromen-4-one
CID 115410613
7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one
CID 88921692
6-bromo-2,2-dimethyl-3H-pyrano[2,3-b]pyridin-4-one
CID 67509607
5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one
CID 88638845
6-bromo-7-ethoxy-2,2-dimethyl-3H-chromen-4-one
CID 22490922
6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one
CID 12531628
2,2-dimethyl-3H-chromen-4-one;ethane
CID 90690524
6-hydroxy-2,2-dimethyl-7-methylsulfanyl-3H-chromen-4-one
CID 102241810
6-bromo-2,2,8-trimethyl-3H-chromen-4-one
CID 64696216
2-bromo-1-(2,2-dimethyl-3H-furo[2,3-c]pyridin-5-yl)ethanone
CID 169004107
8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one
CID 64698086
6-(2-hydroxyacetyl)-2,2-dimethyl-3H-chromen-4-one
CID 163042609

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,2-dimethyl-3H-pyrano[2,3-c]pyridin-4-one?
The IUPAC name of 6-bromo-2,2-dimethyl-3H-pyrano[2,3-c]pyridin-4-one (CID 57466601) is 6-bromo-2,2-dimethyl-3H-pyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 6-bromo-2,2-dimethyl-3H-pyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 6-bromo-2,2-dimethyl-3H-pyrano[2,3-c]pyridin-4-one is CC1(C)CC(=O)c2cc(Br)ncc2O1.
What is the InChIKey of 6-bromo-2,2-dimethyl-3H-pyrano[2,3-c]pyridin-4-one?
The InChIKey is FDMSGEJHVUTEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-10(2)4-7(13)6-3-9(11)12-5-8(6)14-10/h3,5H,4H2,1-2H3.
What are the key properties of 6-bromo-2,2-dimethyl-3H-pyrano[2,3-c]pyridin-4-one?
6-bromo-2,2-dimethyl-3H-pyrano[2,3-c]pyridin-4-one has a molecular weight of 256.10 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,2-dimethyl-3H-pyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 57466601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).