4-hydroxy-6-methyl-3-[(6-methyl-2-pyridinyl)iminomethyl]pyran-2-one

C13H12N2O3 — CID 135443207

IUPAC4-hydroxy-6-methyl-3-[(6-methyl-2-pyridinyl)iminomethyl]pyran-2-one
SMILESCc1cccc(N=Cc2c(O)cc(C)oc2=O)n1
InChIInChI=1S/C13H12N2O3/c1-8-4-3-5-12(15-8)14-7-10-11(16)6-9(2)18-13(10)17/h3-7,16H,1-2H3
InChIKeyMLZOWQOWNSYOSZ-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.11
Rot. Bonds2

About 4-hydroxy-6-methyl-3-[(6-methyl-2-pyridinyl)iminomethyl]pyran-2-one

4-hydroxy-6-methyl-3-[(6-methyl-2-pyridinyl)iminomethyl]pyran-2-one (PubChem CID 135443207) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-[(6-methyl-2-pyridinyl)iminomethyl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-[(6-methyl-2-pyridinyl)iminomethyl]pyran-2-one
PubChem CID135443207
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4-hydroxy-6-methyl-3-[(6-methyl-2-pyridinyl)iminomethyl]pyran-2-one
SMILESCc1cccc(N=Cc2c(O)cc(C)oc2=O)n1
InChIInChI=1S/C13H12N2O3/c1-8-4-3-5-12(15-8)14-7-10-11(16)6-9(2)18-13(10)17/h3-7,16H,1-2H3
InChIKeyMLZOWQOWNSYOSZ-UHFFFAOYSA-N
XLogP2.11
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(Z)-3-(((5-chloropyridin-2-yl)amino)methylene)-6-methyl-2H-pyran-2,4(3H)-dione
CID 135488657
4,6-dimethyl-N-(6-methylpyridin-2-yl)-2-oxo-2H-pyran-5-carboxamide
CID 659098
3-(6-Amino-2-methylpyridin-3-yl)prop-2-enoic acid
CID 22593744
4-hydroxy-6-methyl-3-[(E)-(2-pyridylimino)methyl]-2H-pyran-2-one
CID 135422423
6-Methyl-3-[(2-pyridylamino)methylene]pyran-2,4-dione
CID 135415387
(Z)-6-methyl-3-(((6-methylpyridin-2-yl)amino)methylene)-2H-pyran-2,4(3H)-dione
CID 135415548
ethyl (E)-2-[(6-fluoro-2-pyridinyl)iminomethyl]-3-hydroxybut-2-enoate
CID 137278955
3-(6-Amino-pyridin-2-yl)-acrylic acid methyl ester
CID 54189349
3-(6-Amino-2-pyridinyl)prop-2-enoic acid
CID 54209517
Methyl 3-(6-aminopyridin-2-yl)acrylate
CID 59334837
tert-butyl (E)-3-(6-isocyano-2-pyridinyl)prop-2-enoate
CID 59750124
3-(6-Amino-2-methyl-3-pyridinyl)prop-2-enoic acid
CID 67344335

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-[(6-methyl-2-pyridinyl)iminomethyl]pyran-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-[(6-methyl-2-pyridinyl)iminomethyl]pyran-2-one (CID 135443207) is 4-hydroxy-6-methyl-3-[(6-methyl-2-pyridinyl)iminomethyl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-[(6-methyl-2-pyridinyl)iminomethyl]pyran-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-[(6-methyl-2-pyridinyl)iminomethyl]pyran-2-one is Cc1cccc(N=Cc2c(O)cc(C)oc2=O)n1.
What is the InChIKey of 4-hydroxy-6-methyl-3-[(6-methyl-2-pyridinyl)iminomethyl]pyran-2-one?
The InChIKey is MLZOWQOWNSYOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-4-3-5-12(15-8)14-7-10-11(16)6-9(2)18-13(10)17/h3-7,16H,1-2H3.
What are the key properties of 4-hydroxy-6-methyl-3-[(6-methyl-2-pyridinyl)iminomethyl]pyran-2-one?
4-hydroxy-6-methyl-3-[(6-methyl-2-pyridinyl)iminomethyl]pyran-2-one has a molecular weight of 244.25 g/mol, XLogP of 2.11, 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-[(6-methyl-2-pyridinyl)iminomethyl]pyran-2-one is sourced from PubChem (CID 135443207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).