6-bromo-5-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one

C9H8BrNO2 — CID 146310253

IUPAC6-bromo-5-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one
SMILESCc1c(Br)cnc2c1C(=O)CCO2
InChIInChI=1S/C9H8BrNO2/c1-5-6(10)4-11-9-8(5)7(12)2-3-13-9/h4H,2-3H2,1H3
InChIKeyDDANTXMKVMFCTG-UHFFFAOYSA-N
MW242.07 g/mol
LogP2.12
Rot. Bonds

About 6-bromo-5-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one

6-bromo-5-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one (PubChem CID 146310253) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is 6-bromo-5-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name6-bromo-5-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one
PubChem CID146310253
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Name6-bromo-5-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one
SMILESCc1c(Br)cnc2c1C(=O)CCO2
InChIInChI=1S/C9H8BrNO2/c1-5-6(10)4-11-9-8(5)7(12)2-3-13-9/h4H,2-3H2,1H3
InChIKeyDDANTXMKVMFCTG-UHFFFAOYSA-N
XLogP2.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 135343188
5-bromo-6-methyl-2,3-dihydropyran-4-one
CID 10774061
(6-bromo-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)oxy-tert-butyl-dimethylsilane
CID 160760666
1,4-dibromo-5,6-dihydrocyclopenta[c]pyridin-7-one
CID 156859145
6-bromo-4,7-dimethyl-2,3-dihydroinden-1-one
CID 23584049
3-bromo-4-methyl-5-oxo-6,7-dihydrocyclopenta[b]pyridine-6-carboxylic acid
CID 146465826
5-fluoro-8-methyl-2,3-dihydrochromen-4-one
CID 55273706
7-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 59199637
6-bromo-5-methyl-3,4-dihydroisochromen-1-one
CID 67517345
7-bromo-6-methoxy-2,3-dihydrochromen-4-one
CID 84708948
3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione
CID 54769974
7-amino-8-methyl-2,3-dihydrochromen-4-one
CID 55297743

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The IUPAC name of 6-bromo-5-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one (CID 146310253) is 6-bromo-5-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 6-bromo-5-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 6-bromo-5-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one is Cc1c(Br)cnc2c1C(=O)CCO2.
What is the InChIKey of 6-bromo-5-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The InChIKey is DDANTXMKVMFCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2/c1-5-6(10)4-11-9-8(5)7(12)2-3-13-9/h4H,2-3H2,1H3.
What are the key properties of 6-bromo-5-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one?
6-bromo-5-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one has a molecular weight of 242.07 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 146310253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).