7-hydroxy-8-[(3-hydroxy-2-pyridinyl)iminomethyl]-4-methylchromen-2-one

C16H12N2O4 — CID 155294759

IUPAC7-hydroxy-8-[(3-hydroxy-2-pyridinyl)iminomethyl]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2c(C=Nc3ncccc3O)c(O)ccc12
InChIInChI=1S/C16H12N2O4/c1-9-7-14(21)22-15-10(9)4-5-12(19)11(15)8-18-16-13(20)3-2-6-17-16/h2-8,19-20H,1H3
InChIKeyDCXXBJLKOWDWCX-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.66
Rot. Bonds2

About 7-hydroxy-8-[(3-hydroxy-2-pyridinyl)iminomethyl]-4-methylchromen-2-one

7-hydroxy-8-[(3-hydroxy-2-pyridinyl)iminomethyl]-4-methylchromen-2-one (PubChem CID 155294759) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 7-hydroxy-8-[(3-hydroxy-2-pyridinyl)iminomethyl]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-8-[(3-hydroxy-2-pyridinyl)iminomethyl]-4-methylchromen-2-one
PubChem CID155294759
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name7-hydroxy-8-[(3-hydroxy-2-pyridinyl)iminomethyl]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2c(C=Nc3ncccc3O)c(O)ccc12
InChIInChI=1S/C16H12N2O4/c1-9-7-14(21)22-15-10(9)4-5-12(19)11(15)8-18-16-13(20)3-2-6-17-16/h2-8,19-20H,1H3
InChIKeyDCXXBJLKOWDWCX-UHFFFAOYSA-N
XLogP2.66
TPSA95.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-8-[(4-methoxyphenyl)iminomethyl]-4-methylchromen-2-one
CID 135799900
7-hydroxy-4-methyl-8-[[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminomethyl]chromen-2-one
CID 136669458
4-bromo-2-hydroxy-N-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methylideneamino]benzamide
CID 135486266
4-methyl-8-[[8-[(4-methyl-7-oxido-2-oxochromen-8-yl)methylideneamino]naphthalen-1-yl]iminomethyl]-2-oxochromen-7-olate;nickel(2+)
CID 86573801
7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one
CID 135758956
2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol
CID 135912097
2-(7-hydroxy-4-methyl-2-oxochromen-8-yl)-2-oxoacetic acid
CID 175599461
copper;bis(4-methyl-2-oxo-8-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]chromen-7-olate);dihydrate
CID 46240250
lanthanum(3+);4-methyl-8-[2-[(4-methyl-7-oxido-2-oxochromen-8-yl)methylideneamino]ethyliminomethyl]-2-oxochromen-7-olate;nitrate
CID 42644911
7-hydroxy-4-methyl-8-(3-methylbenzoyl)chromen-2-one
CID 45104722
8-(furan-2-carbonyl)-7-hydroxy-4-methylchromen-2-one
CID 45104609
8-(1,3-benzothiazol-2-yl)-7-hydroxy-4-methylchromen-2-one
CID 136912374

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-[(3-hydroxy-2-pyridinyl)iminomethyl]-4-methylchromen-2-one?
The IUPAC name of 7-hydroxy-8-[(3-hydroxy-2-pyridinyl)iminomethyl]-4-methylchromen-2-one (CID 155294759) is 7-hydroxy-8-[(3-hydroxy-2-pyridinyl)iminomethyl]-4-methylchromen-2-one.
What is the SMILES notation for 7-hydroxy-8-[(3-hydroxy-2-pyridinyl)iminomethyl]-4-methylchromen-2-one?
The canonical SMILES for 7-hydroxy-8-[(3-hydroxy-2-pyridinyl)iminomethyl]-4-methylchromen-2-one is Cc1cc(=O)oc2c(C=Nc3ncccc3O)c(O)ccc12.
What is the InChIKey of 7-hydroxy-8-[(3-hydroxy-2-pyridinyl)iminomethyl]-4-methylchromen-2-one?
The InChIKey is DCXXBJLKOWDWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-9-7-14(21)22-15-10(9)4-5-12(19)11(15)8-18-16-13(20)3-2-6-17-16/h2-8,19-20H,1H3.
What are the key properties of 7-hydroxy-8-[(3-hydroxy-2-pyridinyl)iminomethyl]-4-methylchromen-2-one?
7-hydroxy-8-[(3-hydroxy-2-pyridinyl)iminomethyl]-4-methylchromen-2-one has a molecular weight of 296.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-[(3-hydroxy-2-pyridinyl)iminomethyl]-4-methylchromen-2-one is sourced from PubChem (CID 155294759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).