7-hydroxy-8-methoxy-6-pyridazin-4-ylchromen-2-one

C14H10N2O4 — CID 135456701

IUPAC7-hydroxy-8-methoxy-6-pyridazin-4-ylchromen-2-one
SMILESCOc1c(O)c(-c2ccnnc2)cc2ccc(=O)oc12
InChIInChI=1S/C14H10N2O4/c1-19-14-12(18)10(9-4-5-15-16-7-9)6-8-2-3-11(17)20-13(8)14/h2-7,18H,1H3
InChIKeyMMOIUJNCPYUKGU-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.96
Rot. Bonds2

About 7-hydroxy-8-methoxy-6-pyridazin-4-ylchromen-2-one

7-hydroxy-8-methoxy-6-pyridazin-4-ylchromen-2-one (PubChem CID 135456701) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 7-hydroxy-8-methoxy-6-pyridazin-4-ylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-8-methoxy-6-pyridazin-4-ylchromen-2-one
PubChem CID135456701
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name7-hydroxy-8-methoxy-6-pyridazin-4-ylchromen-2-one
SMILESCOc1c(O)c(-c2ccnnc2)cc2ccc(=O)oc12
InChIInChI=1S/C14H10N2O4/c1-19-14-12(18)10(9-4-5-15-16-7-9)6-8-2-3-11(17)20-13(8)14/h2-7,18H,1H3
InChIKeyMMOIUJNCPYUKGU-UHFFFAOYSA-N
XLogP1.96
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde
CID 15108317
9-methoxyfuro[3,2-g]chromene-3,7-dione
CID 141257302
3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one
CID 59891635
8-acetyl-6-hydroxy-7-methoxychromen-2-one
CID 161217673
6-hydroxy-5,7,8-trimethoxychromen-2-one
CID 86221763
6,8-dimethoxy-7-nitrochromen-2-one
CID 134989897
5,7-dihydroxy-8-(triazin-4-yl)chromen-2-one
CID 138858081
7-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-6,8-dimethoxychromen-2-one
CID 163041261
7-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]-6,8-dimethoxychromen-2-one
CID 163041260
8-hydroxy-7-methylchromen-2-one
CID 145496971
6-methoxythieno[2,3-h]chromen-2-one
CID 14235198
[1-(6,7-dimethoxy-2-oxochromen-8-yl)-3-methyl-2-oxobut-3-enyl] acetate
CID 15730551

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-methoxy-6-pyridazin-4-ylchromen-2-one?
The IUPAC name of 7-hydroxy-8-methoxy-6-pyridazin-4-ylchromen-2-one (CID 135456701) is 7-hydroxy-8-methoxy-6-pyridazin-4-ylchromen-2-one.
What is the SMILES notation for 7-hydroxy-8-methoxy-6-pyridazin-4-ylchromen-2-one?
The canonical SMILES for 7-hydroxy-8-methoxy-6-pyridazin-4-ylchromen-2-one is COc1c(O)c(-c2ccnnc2)cc2ccc(=O)oc12.
What is the InChIKey of 7-hydroxy-8-methoxy-6-pyridazin-4-ylchromen-2-one?
The InChIKey is MMOIUJNCPYUKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c1-19-14-12(18)10(9-4-5-15-16-7-9)6-8-2-3-11(17)20-13(8)14/h2-7,18H,1H3.
What are the key properties of 7-hydroxy-8-methoxy-6-pyridazin-4-ylchromen-2-one?
7-hydroxy-8-methoxy-6-pyridazin-4-ylchromen-2-one has a molecular weight of 270.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-methoxy-6-pyridazin-4-ylchromen-2-one is sourced from PubChem (CID 135456701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).