2-methyl-7H-furo[3,4-b]pyridin-5-one

C8H7NO2 — CID 58478770

IUPAC2-methyl-7H-furo[3,4-b]pyridin-5-one
SMILESCc1ccc2c(n1)COC2=O
InChIInChI=1S/C8H7NO2/c1-5-2-3-6-7(9-5)4-11-8(6)10/h2-3H,4H2,1H3
InChIKeyJMIABKWSWZVKRG-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.06
Rot. Bonds

About 2-methyl-7H-furo[3,4-b]pyridin-5-one

2-methyl-7H-furo[3,4-b]pyridin-5-one (PubChem CID 58478770) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-methyl-7H-furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-methyl-7H-furo[3,4-b]pyridin-5-one
PubChem CID58478770
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name2-methyl-7H-furo[3,4-b]pyridin-5-one
SMILESCc1ccc2c(n1)COC2=O
InChIInChI=1S/C8H7NO2/c1-5-2-3-6-7(9-5)4-11-8(6)10/h2-3H,4H2,1H3
InChIKeyJMIABKWSWZVKRG-UHFFFAOYSA-N
XLogP1.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Furo[3,4-b]pyridine-5,7-dione
CID 69688
Diethyl 2,6-dimethylpyridine-3,5-dicarboxylate
CID 245983
6-Methylpyridine-2,3-dicarboxylic acid
CID 542567
Diethyl 2,5-pyridinedicarboxylate
CID 254728
Ethyl 4-(dicyanomethyl)-2,6-dimethylpyridine-3-carboxylate
CID 658661
5H,7H-furo(3,4-b)pyridin-7-one
CID 12251968
furo(3,4-b)pyridin-5(7H)-one
CID 819439
Methyl 6-(4-fluorophenyl)-2-methylnicotinate
CID 822971
3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, 3,5-dimethyl ester
CID 854175
Brn 4272101
CID 3079723
2,6-Dimethylnicotinic acid
CID 11715203
3-Methylfuro[3,4-b]quinolin-1(3h)-one
CID 278314

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7H-furo[3,4-b]pyridin-5-one?
The IUPAC name of 2-methyl-7H-furo[3,4-b]pyridin-5-one (CID 58478770) is 2-methyl-7H-furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-methyl-7H-furo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-methyl-7H-furo[3,4-b]pyridin-5-one is Cc1ccc2c(n1)COC2=O.
What is the InChIKey of 2-methyl-7H-furo[3,4-b]pyridin-5-one?
The InChIKey is JMIABKWSWZVKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c1-5-2-3-6-7(9-5)4-11-8(6)10/h2-3H,4H2,1H3.
What are the key properties of 2-methyl-7H-furo[3,4-b]pyridin-5-one?
2-methyl-7H-furo[3,4-b]pyridin-5-one has a molecular weight of 149.15 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7H-furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 58478770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).