4-hydroxy-6-methyl-3-[(E)-pyridin-2-yliminomethyl]pyran-2-one

C12H10N2O3 — CID 135415387

IUPAC4-hydroxy-6-methyl-3-[(E)-pyridin-2-yliminomethyl]pyran-2-one
SMILESCc1cc(O)c(/C=N/c2ccccn2)c(=O)o1
InChIInChI=1S/C12H10N2O3/c1-8-6-10(15)9(12(16)17-8)7-14-11-4-2-3-5-13-11/h2-7,15H,1H3/b14-7+
InChIKeyQOTRSSNFSSWZCT-VGOFMYFVSA-N
MW230.22 g/mol
LogP1.80
Rot. Bonds2

About 4-hydroxy-6-methyl-3-[(E)-pyridin-2-yliminomethyl]pyran-2-one

4-hydroxy-6-methyl-3-[(E)-pyridin-2-yliminomethyl]pyran-2-one (PubChem CID 135415387) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-[(E)-pyridin-2-yliminomethyl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-[(E)-pyridin-2-yliminomethyl]pyran-2-one
PubChem CID135415387
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name4-hydroxy-6-methyl-3-[(E)-pyridin-2-yliminomethyl]pyran-2-one
SMILESCc1cc(O)c(/C=N/c2ccccn2)c(=O)o1
InChIInChI=1S/C12H10N2O3/c1-8-6-10(15)9(12(16)17-8)7-14-11-4-2-3-5-13-11/h2-7,15H,1H3/b14-7+
InChIKeyQOTRSSNFSSWZCT-VGOFMYFVSA-N
XLogP1.80
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(((5-chloropyridin-2-yl)amino)methylene)-6-methyl-2H-pyran-2,4(3H)-dione
CID 135488657
Pyridinopyrone A
CID 53493722
Pyridinopyrone B
CID 53493723
Pyridinopyrone C
CID 53493724
4-Methoxy-6-(5-methyl-8-pyridin-3-ylocta-1,3,5,7-tetraenyl)pyran-2-one
CID 76046875
(2E)-3-(6-aminopyridin-3-yl)prop-2-enoic acid
CID 10487224
(2E)-3-(6-amino-5-methylpyridin-3-yl)prop-2-enoic acid
CID 22593736
3-(2-Aminopyridin-3-yl)prop-2-enoic acid
CID 53399026
4-hydroxy-6-methyl-3-[(E)-(2-pyridylimino)methyl]-2H-pyran-2-one
CID 135422423
6-methyl-3-{[(6-methylpyridin-2-yl)amino]methylidene}-3,4-dihydro-2H-pyran-2,4-dione
CID 135443207
4-Methoxy-3-methyl-6-(5-methyl-8-pyridin-3-ylocta-1,3,5,7-tetraenyl)pyran-2-one
CID 76046876
4-Methoxy-3-methyl-6-(3-methyl-8-pyridin-3-ylocta-1,3,5,7-tetraenyl)pyran-2-one
CID 76046877

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-[(E)-pyridin-2-yliminomethyl]pyran-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-[(E)-pyridin-2-yliminomethyl]pyran-2-one (CID 135415387) is 4-hydroxy-6-methyl-3-[(E)-pyridin-2-yliminomethyl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-[(E)-pyridin-2-yliminomethyl]pyran-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-[(E)-pyridin-2-yliminomethyl]pyran-2-one is Cc1cc(O)c(/C=N/c2ccccn2)c(=O)o1.
What is the InChIKey of 4-hydroxy-6-methyl-3-[(E)-pyridin-2-yliminomethyl]pyran-2-one?
The InChIKey is QOTRSSNFSSWZCT-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-8-6-10(15)9(12(16)17-8)7-14-11-4-2-3-5-13-11/h2-7,15H,1H3/b14-7+.
What are the key properties of 4-hydroxy-6-methyl-3-[(E)-pyridin-2-yliminomethyl]pyran-2-one?
4-hydroxy-6-methyl-3-[(E)-pyridin-2-yliminomethyl]pyran-2-one has a molecular weight of 230.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-[(E)-pyridin-2-yliminomethyl]pyran-2-one is sourced from PubChem (CID 135415387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).