7-hydroxy-3-(1-methylpyridin-1-ium-2-yl)chromen-4-one

C15H12NO3+ — CID 5397271

IUPAC7-hydroxy-3-(1-methylpyridin-1-ium-2-yl)chromen-4-one
SMILESC[n+]1ccccc1-c1coc2cc(O)ccc2c1=O
InChIInChI=1S/C15H11NO3/c1-16-7-3-2-4-13(16)12-9-19-14-8-10(17)5-6-11(14)15(12)18/h2-9H,1H3/p+1
InChIKeyLNXFPRRSMNMXKL-UHFFFAOYSA-O
MW254.27 g/mol
LogP1.99
Rot. Bonds1

About 7-hydroxy-3-(1-methylpyridin-1-ium-2-yl)chromen-4-one

7-hydroxy-3-(1-methylpyridin-1-ium-2-yl)chromen-4-one (PubChem CID 5397271) has the molecular formula C15H12NO3+ and a molecular weight of 254.27 g/mol. Its IUPAC name is 7-hydroxy-3-(1-methylpyridin-1-ium-2-yl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(1-methylpyridin-1-ium-2-yl)chromen-4-one
PubChem CID5397271
Molecular FormulaC15H12NO3+
Molecular Weight254.27 g/mol
Exact Mass254.08
IUPAC Name7-hydroxy-3-(1-methylpyridin-1-ium-2-yl)chromen-4-one
SMILESC[n+]1ccccc1-c1coc2cc(O)ccc2c1=O
InChIInChI=1S/C15H11NO3/c1-16-7-3-2-4-13(16)12-9-19-14-8-10(17)5-6-11(14)15(12)18/h2-9H,1H3/p+1
InChIKeyLNXFPRRSMNMXKL-UHFFFAOYSA-O
XLogP1.99
TPSA54.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one
CID 71483517
3-(4-acetylphenyl)-7-hydroxychromen-4-one
CID 71506237
7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one
CID 11024901
7-hydroxy-3-methylchromen-4-one
CID 13419593
4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid
CID 67365953
2,4-diacetyl-3-(7-hydroxy-4-oxochromen-3-yl)xanthen-9-one
CID 121443333
3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one
CID 69367923
3-(1,4-dihydroimidazo[4,5-b]indol-2-yl)-7-hydroxychromen-4-one
CID 16741826
2-(7-hydroxy-4-oxochromen-3-yl)-4,5-di(propan-2-yl)benzenesulfonic acid
CID 11014915
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
3-fluoro-7-hydroxychromen-4-one
CID 14948349
7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
CID 5408024

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(1-methylpyridin-1-ium-2-yl)chromen-4-one?
The IUPAC name of 7-hydroxy-3-(1-methylpyridin-1-ium-2-yl)chromen-4-one (CID 5397271) is 7-hydroxy-3-(1-methylpyridin-1-ium-2-yl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-(1-methylpyridin-1-ium-2-yl)chromen-4-one?
The canonical SMILES for 7-hydroxy-3-(1-methylpyridin-1-ium-2-yl)chromen-4-one is C[n+]1ccccc1-c1coc2cc(O)ccc2c1=O.
What is the InChIKey of 7-hydroxy-3-(1-methylpyridin-1-ium-2-yl)chromen-4-one?
The InChIKey is LNXFPRRSMNMXKL-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H11NO3/c1-16-7-3-2-4-13(16)12-9-19-14-8-10(17)5-6-11(14)15(12)18/h2-9H,1H3/p+1.
What are the key properties of 7-hydroxy-3-(1-methylpyridin-1-ium-2-yl)chromen-4-one?
7-hydroxy-3-(1-methylpyridin-1-ium-2-yl)chromen-4-one has a molecular weight of 254.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(1-methylpyridin-1-ium-2-yl)chromen-4-one is sourced from PubChem (CID 5397271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).