7-hydroxy-3-pyrimidin-2-ylchromen-2-one

C13H8N2O3 — CID 137183754

IUPAC7-hydroxy-3-pyrimidin-2-ylchromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1-c1ncccn1
InChIInChI=1S/C13H8N2O3/c16-9-3-2-8-6-10(12-14-4-1-5-15-12)13(17)18-11(8)7-9/h1-7,16H
InChIKeyKVBCPDBKQCRPQY-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.96
Rot. Bonds1

About 7-hydroxy-3-pyrimidin-2-ylchromen-2-one

7-hydroxy-3-pyrimidin-2-ylchromen-2-one (PubChem CID 137183754) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 7-hydroxy-3-pyrimidin-2-ylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-pyrimidin-2-ylchromen-2-one
PubChem CID137183754
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name7-hydroxy-3-pyrimidin-2-ylchromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1-c1ncccn1
InChIInChI=1S/C13H8N2O3/c16-9-3-2-8-6-10(12-14-4-1-5-15-12)13(17)18-11(8)7-9/h1-7,16H
InChIKeyKVBCPDBKQCRPQY-UHFFFAOYSA-N
XLogP1.96
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one
CID 58667740
7-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one
CID 135686641
3-(4-bromophenyl)-7-hydroxychromen-2-one
CID 5393163
7-hydroxy-3-(5-methyl-1,3,4-thiadiazol-2-yl)chromen-2-one
CID 158909644
3-amino-7-hydroxychromen-2-one;ethane
CID 145140351
7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one
CID 11703726
3-(2,4-diethylphenyl)-7-hydroxychromen-2-one
CID 126606459
3-(2-anilino-1,3-thiazol-4-yl)-7-hydroxychromen-2-one
CID 5405778
2-(7-hydroxy-2-oxochromen-3-yl)acetic acid
CID 22167456
3-[4-chloro-2-(trifluoromethyl)phenyl]-7-hydroxychromen-2-one
CID 148520275
7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one
CID 71722134
7-hydroxy-3-methylsulfonylchromen-2-one
CID 19840686

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-pyrimidin-2-ylchromen-2-one?
The IUPAC name of 7-hydroxy-3-pyrimidin-2-ylchromen-2-one (CID 137183754) is 7-hydroxy-3-pyrimidin-2-ylchromen-2-one.
What is the SMILES notation for 7-hydroxy-3-pyrimidin-2-ylchromen-2-one?
The canonical SMILES for 7-hydroxy-3-pyrimidin-2-ylchromen-2-one is O=c1oc2cc(O)ccc2cc1-c1ncccn1.
What is the InChIKey of 7-hydroxy-3-pyrimidin-2-ylchromen-2-one?
The InChIKey is KVBCPDBKQCRPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3/c16-9-3-2-8-6-10(12-14-4-1-5-15-12)13(17)18-11(8)7-9/h1-7,16H.
What are the key properties of 7-hydroxy-3-pyrimidin-2-ylchromen-2-one?
7-hydroxy-3-pyrimidin-2-ylchromen-2-one has a molecular weight of 240.22 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-pyrimidin-2-ylchromen-2-one is sourced from PubChem (CID 137183754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).