5H-chromeno[4,3-b]pyridin-3-yl-(2-hydroxy-5-methylphenyl)methanone

C20H15NO3 — CID 838847

IUPAC5H-chromeno[4,3-b]pyridin-3-yl-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)c2cnc3c(c2)COc2ccccc2-3)c1
InChIInChI=1S/C20H15NO3/c1-12-6-7-17(22)16(8-12)20(23)13-9-14-11-24-18-5-3-2-4-15(18)19(14)21-10-13/h2-10,22H,11H2,1H3
InChIKeyFZJFVIYSBBBFGW-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.89
Rot. Bonds2

About 5H-chromeno[4,3-b]pyridin-3-yl-(2-hydroxy-5-methylphenyl)methanone

5H-chromeno[4,3-b]pyridin-3-yl-(2-hydroxy-5-methylphenyl)methanone (PubChem CID 838847) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 5H-chromeno[4,3-b]pyridin-3-yl-(2-hydroxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name5H-chromeno[4,3-b]pyridin-3-yl-(2-hydroxy-5-methylphenyl)methanone
PubChem CID838847
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name5H-chromeno[4,3-b]pyridin-3-yl-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)c2cnc3c(c2)COc2ccccc2-3)c1
InChIInChI=1S/C20H15NO3/c1-12-6-7-17(22)16(8-12)20(23)13-9-14-11-24-18-5-3-2-4-15(18)19(14)21-10-13/h2-10,22H,11H2,1H3
InChIKeyFZJFVIYSBBBFGW-UHFFFAOYSA-N
XLogP3.89
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5H-chromeno[4,3-b]pyridin-3-yl-(2-hydroxy-5-methylphenyl)methanone?
The IUPAC name of 5H-chromeno[4,3-b]pyridin-3-yl-(2-hydroxy-5-methylphenyl)methanone (CID 838847) is 5H-chromeno[4,3-b]pyridin-3-yl-(2-hydroxy-5-methylphenyl)methanone.
What is the SMILES notation for 5H-chromeno[4,3-b]pyridin-3-yl-(2-hydroxy-5-methylphenyl)methanone?
The canonical SMILES for 5H-chromeno[4,3-b]pyridin-3-yl-(2-hydroxy-5-methylphenyl)methanone is Cc1ccc(O)c(C(=O)c2cnc3c(c2)COc2ccccc2-3)c1.
What is the InChIKey of 5H-chromeno[4,3-b]pyridin-3-yl-(2-hydroxy-5-methylphenyl)methanone?
The InChIKey is FZJFVIYSBBBFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c1-12-6-7-17(22)16(8-12)20(23)13-9-14-11-24-18-5-3-2-4-15(18)19(14)21-10-13/h2-10,22H,11H2,1H3.
What are the key properties of 5H-chromeno[4,3-b]pyridin-3-yl-(2-hydroxy-5-methylphenyl)methanone?
5H-chromeno[4,3-b]pyridin-3-yl-(2-hydroxy-5-methylphenyl)methanone has a molecular weight of 317.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-chromeno[4,3-b]pyridin-3-yl-(2-hydroxy-5-methylphenyl)methanone is sourced from PubChem (CID 838847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).