3-bromo-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione

C21H14BrNO5 — CID 59241971

IUPAC3-bromo-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1cccc(-n2c(-c3ccccc3)cc3oc(=O)c(Br)c(O)c3c2=O)c1
InChIInChI=1S/C21H14BrNO5/c1-27-14-9-5-8-13(10-14)23-15(12-6-3-2-4-7-12)11-16-17(20(23)25)19(24)18(22)21(26)28-16/h2-11,24H,1H3
InChIKeyRSDRWYSGGIHCRW-UHFFFAOYSA-N
MW440.25 g/mol
LogP4.09
Rot. Bonds3

About 3-bromo-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione

3-bromo-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 59241971) has the molecular formula C21H14BrNO5 and a molecular weight of 440.25 g/mol. Its IUPAC name is 3-bromo-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name3-bromo-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione
PubChem CID59241971
Molecular FormulaC21H14BrNO5
Molecular Weight440.25 g/mol
Exact Mass439.01
IUPAC Name3-bromo-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1cccc(-n2c(-c3ccccc3)cc3oc(=O)c(Br)c(O)c3c2=O)c1
InChIInChI=1S/C21H14BrNO5/c1-27-14-9-5-8-13(10-14)23-15(12-6-3-2-4-7-12)11-16-17(20(23)25)19(24)18(22)21(26)28-16/h2-11,24H,1H3
InChIKeyRSDRWYSGGIHCRW-UHFFFAOYSA-N
XLogP4.09
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.25
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 59241370
6-(4-fluorophenyl)-4-hydroxy-3-(3-methoxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 59241464
3-(4-fluorophenyl)sulfanyl-4-hydroxy-6-(4-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 59241003
4-hydroxy-3-(3-methylphenyl)sulfanyl-6,7-diphenylpyrano[3,2-c]pyridine-2,5-dione
CID 59241148
6-(3-fluorophenyl)-4-hydroxy-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione
CID 59241873
3-(3-bromophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)pyrano[3,2-c]quinoline-2,5-dione
CID 59241153
4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenyl-3-[4-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione
CID 59241446
3-(3-chlorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 59240956
6-bromo-5-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one
CID 54718203
8-bromo-2,4-dimethoxy-7-(3-methoxyphenyl)-6-phenylpyrido[4,3-d]pyrimidin-5-one
CID 15696814
6-(2-bromophenyl)sulfanyl-7-hydroxy-14-methoxy-17,17-dimethyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione
CID 59241308
1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one
CID 57325894

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 3-bromo-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione (CID 59241971) is 3-bromo-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 3-bromo-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 3-bromo-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione is COc1cccc(-n2c(-c3ccccc3)cc3oc(=O)c(Br)c(O)c3c2=O)c1.
What is the InChIKey of 3-bromo-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is RSDRWYSGGIHCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrNO5/c1-27-14-9-5-8-13(10-14)23-15(12-6-3-2-4-7-12)11-16-17(20(23)25)19(24)18(22)21(26)28-16/h2-11,24H,1H3.
What are the key properties of 3-bromo-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
3-bromo-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 440.25 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 59241971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).