7-butylpyrano[4,3-b]pyridin-5-one

C12H13NO2 — CID 14090391

IUPAC7-butylpyrano[4,3-b]pyridin-5-one
SMILESCCCCc1cc2ncccc2c(=O)o1
InChIInChI=1S/C12H13NO2/c1-2-3-5-9-8-11-10(12(14)15-9)6-4-7-13-11/h4,6-8H,2-3,5H2,1H3
InChIKeyRZFGVASDSAVERO-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.53
Rot. Bonds3

About 7-butylpyrano[4,3-b]pyridin-5-one

7-butylpyrano[4,3-b]pyridin-5-one (PubChem CID 14090391) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 7-butylpyrano[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name7-butylpyrano[4,3-b]pyridin-5-one
PubChem CID14090391
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name7-butylpyrano[4,3-b]pyridin-5-one
SMILESCCCCc1cc2ncccc2c(=O)o1
InChIInChI=1S/C12H13NO2/c1-2-3-5-9-8-11-10(12(14)15-9)6-4-7-13-11/h4,6-8H,2-3,5H2,1H3
InChIKeyRZFGVASDSAVERO-UHFFFAOYSA-N
XLogP2.53
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-butylpyrano[4,3-b]pyridin-5-one?
The IUPAC name of 7-butylpyrano[4,3-b]pyridin-5-one (CID 14090391) is 7-butylpyrano[4,3-b]pyridin-5-one.
What is the SMILES notation for 7-butylpyrano[4,3-b]pyridin-5-one?
The canonical SMILES for 7-butylpyrano[4,3-b]pyridin-5-one is CCCCc1cc2ncccc2c(=O)o1.
What is the InChIKey of 7-butylpyrano[4,3-b]pyridin-5-one?
The InChIKey is RZFGVASDSAVERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-3-5-9-8-11-10(12(14)15-9)6-4-7-13-11/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 7-butylpyrano[4,3-b]pyridin-5-one?
7-butylpyrano[4,3-b]pyridin-5-one has a molecular weight of 203.24 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butylpyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 14090391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).