1H-isochromeno[4,3-b]pyridine

C12H9NO — CID 88809160

IUPAC1H-isochromeno[4,3-b]pyridine
SMILESC1=CNC2=c3ccccc3=COC2=C1
InChIInChI=1S/C12H9NO/c1-2-5-10-9(4-1)8-14-11-6-3-7-13-12(10)11/h1-8,13H
InChIKeyLLLRXKJDJRWSFD-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.56
Rot. Bonds

About 1H-isochromeno[4,3-b]pyridine

1H-isochromeno[4,3-b]pyridine (PubChem CID 88809160) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 1H-isochromeno[4,3-b]pyridine.

Molecular Properties

Compound Name1H-isochromeno[4,3-b]pyridine
PubChem CID88809160
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name1H-isochromeno[4,3-b]pyridine
SMILESC1=CNC2=c3ccccc3=COC2=C1
InChIInChI=1S/C12H9NO/c1-2-5-10-9(4-1)8-14-11-6-3-7-13-12(10)11/h1-8,13H
InChIKeyLLLRXKJDJRWSFD-UHFFFAOYSA-N
XLogP0.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-isochromeno[4,3-b]pyridine?
The IUPAC name of 1H-isochromeno[4,3-b]pyridine (CID 88809160) is 1H-isochromeno[4,3-b]pyridine.
What is the SMILES notation for 1H-isochromeno[4,3-b]pyridine?
The canonical SMILES for 1H-isochromeno[4,3-b]pyridine is C1=CNC2=c3ccccc3=COC2=C1.
What is the InChIKey of 1H-isochromeno[4,3-b]pyridine?
The InChIKey is LLLRXKJDJRWSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c1-2-5-10-9(4-1)8-14-11-6-3-7-13-12(10)11/h1-8,13H.
What are the key properties of 1H-isochromeno[4,3-b]pyridine?
1H-isochromeno[4,3-b]pyridine has a molecular weight of 183.21 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-isochromeno[4,3-b]pyridine is sourced from PubChem (CID 88809160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).