4H-chromeno[3,4-b]pyridine

C12H9NO — CID 23179949

IUPAC4H-chromeno[3,4-b]pyridine
SMILESC1=CNC2=COc3ccccc3C2=C1
InChIInChI=1S/C12H9NO/c1-2-6-12-10(4-1)9-5-3-7-13-11(9)8-14-12/h1-8,13H
InChIKeyKNTIRDWFHBETOO-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.42
Rot. Bonds

About 4H-chromeno[3,4-b]pyridine

4H-chromeno[3,4-b]pyridine (PubChem CID 23179949) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 4H-chromeno[3,4-b]pyridine.

Molecular Properties

Compound Name4H-chromeno[3,4-b]pyridine
PubChem CID23179949
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name4H-chromeno[3,4-b]pyridine
SMILESC1=CNC2=COc3ccccc3C2=C1
InChIInChI=1S/C12H9NO/c1-2-6-12-10(4-1)9-5-3-7-13-11(9)8-14-12/h1-8,13H
InChIKeyKNTIRDWFHBETOO-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-chromeno[3,4-b]pyridine?
The IUPAC name of 4H-chromeno[3,4-b]pyridine (CID 23179949) is 4H-chromeno[3,4-b]pyridine.
What is the SMILES notation for 4H-chromeno[3,4-b]pyridine?
The canonical SMILES for 4H-chromeno[3,4-b]pyridine is C1=CNC2=COc3ccccc3C2=C1.
What is the InChIKey of 4H-chromeno[3,4-b]pyridine?
The InChIKey is KNTIRDWFHBETOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c1-2-6-12-10(4-1)9-5-3-7-13-11(9)8-14-12/h1-8,13H.
What are the key properties of 4H-chromeno[3,4-b]pyridine?
4H-chromeno[3,4-b]pyridine has a molecular weight of 183.21 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-chromeno[3,4-b]pyridine is sourced from PubChem (CID 23179949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).