(2-hydroxyphenyl) 5-formyl-2-methyl-4-(3-methylpyridine-2-carbonyl)furan-3-carboxylate

C20H15NO6 — CID 146539005

IUPAC(2-hydroxyphenyl) 5-formyl-2-methyl-4-(3-methylpyridine-2-carbonyl)furan-3-carboxylate
SMILESCc1cccnc1C(=O)c1c(C=O)oc(C)c1C(=O)Oc1ccccc1O
InChIInChI=1S/C20H15NO6/c1-11-6-5-9-21-18(11)19(24)17-15(10-22)26-12(2)16(17)20(25)27-14-8-4-3-7-13(14)23/h3-10,23H,1-2H3
InChIKeyGHJNOMLUPKNBBO-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.26
Rot. Bonds5

About (2-hydroxyphenyl) 5-formyl-2-methyl-4-(3-methylpyridine-2-carbonyl)furan-3-carboxylate

(2-hydroxyphenyl) 5-formyl-2-methyl-4-(3-methylpyridine-2-carbonyl)furan-3-carboxylate (PubChem CID 146539005) has the molecular formula C20H15NO6 and a molecular weight of 365.34 g/mol. Its IUPAC name is (2-hydroxyphenyl) 5-formyl-2-methyl-4-(3-methylpyridine-2-carbonyl)furan-3-carboxylate.

Molecular Properties

Compound Name(2-hydroxyphenyl) 5-formyl-2-methyl-4-(3-methylpyridine-2-carbonyl)furan-3-carboxylate
PubChem CID146539005
Molecular FormulaC20H15NO6
Molecular Weight365.34 g/mol
Exact Mass365.09
IUPAC Name(2-hydroxyphenyl) 5-formyl-2-methyl-4-(3-methylpyridine-2-carbonyl)furan-3-carboxylate
SMILESCc1cccnc1C(=O)c1c(C=O)oc(C)c1C(=O)Oc1ccccc1O
InChIInChI=1S/C20H15NO6/c1-11-6-5-9-21-18(11)19(24)17-15(10-22)26-12(2)16(17)20(25)27-14-8-4-3-7-13(14)23/h3-10,23H,1-2H3
InChIKeyGHJNOMLUPKNBBO-UHFFFAOYSA-N
XLogP3.26
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2-hydroxyphenyl) 5-formyl-2-methyl-4-(3-methylpyridine-2-carbonyl)furan-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-methylpyridine-2-carbonyl)phenyl] hexanoate
CID 170564670
bis((2-methylphenyl) 2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate);bis((3-methylphenyl) 2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate);phenyl 2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate
CID 157232925
2-(3-methyl-2-pyridinyl)-2-oxoacetaldehyde
CID 130026238
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
bromo 3-hydroxypyridine-2-carboxylate
CID 174630799
3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
CID 10058713
2-(1,3-thiazol-5-yl)ethyl 3-methylpyridine-2-carboxylate
CID 146132900
3-(2-methylphenyl)pyridine-2-carboxamide
CID 174495640
2-bromo-1-(3-methyl-2-pyridinyl)propan-1-one
CID 71428247
[3-(2-methylbenzoyl)oxy-2-pyridin-2-ylphenyl] 2-methylbenzoate
CID 46187632
bromo 3-methoxypyridine-2-carboxylate
CID 71151009

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) 5-formyl-2-methyl-4-(3-methylpyridine-2-carbonyl)furan-3-carboxylate?
The IUPAC name of (2-hydroxyphenyl) 5-formyl-2-methyl-4-(3-methylpyridine-2-carbonyl)furan-3-carboxylate (CID 146539005) is (2-hydroxyphenyl) 5-formyl-2-methyl-4-(3-methylpyridine-2-carbonyl)furan-3-carboxylate.
What is the SMILES notation for (2-hydroxyphenyl) 5-formyl-2-methyl-4-(3-methylpyridine-2-carbonyl)furan-3-carboxylate?
The canonical SMILES for (2-hydroxyphenyl) 5-formyl-2-methyl-4-(3-methylpyridine-2-carbonyl)furan-3-carboxylate is Cc1cccnc1C(=O)c1c(C=O)oc(C)c1C(=O)Oc1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl) 5-formyl-2-methyl-4-(3-methylpyridine-2-carbonyl)furan-3-carboxylate?
The InChIKey is GHJNOMLUPKNBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO6/c1-11-6-5-9-21-18(11)19(24)17-15(10-22)26-12(2)16(17)20(25)27-14-8-4-3-7-13(14)23/h3-10,23H,1-2H3.
What are the key properties of (2-hydroxyphenyl) 5-formyl-2-methyl-4-(3-methylpyridine-2-carbonyl)furan-3-carboxylate?
(2-hydroxyphenyl) 5-formyl-2-methyl-4-(3-methylpyridine-2-carbonyl)furan-3-carboxylate has a molecular weight of 365.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) 5-formyl-2-methyl-4-(3-methylpyridine-2-carbonyl)furan-3-carboxylate is sourced from PubChem (CID 146539005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).