7-methyl-3-(4-nitrophenyl)-6H-pyrano[3,2-c]pyridine-2,5-dione

C15H10N2O5 — CID 10661772

IUPAC7-methyl-3-(4-nitrophenyl)-6H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2oc(=O)c(-c3ccc([N+](=O)[O-])cc3)cc2c(=O)[nH]1
InChIInChI=1S/C15H10N2O5/c1-8-6-13-12(14(18)16-8)7-11(15(19)22-13)9-2-4-10(5-3-9)17(20)21/h2-7H,1H3,(H,16,18)
InChIKeyIIZFHNVCTYBHNC-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.36
Rot. Bonds2

About 7-methyl-3-(4-nitrophenyl)-6H-pyrano[3,2-c]pyridine-2,5-dione

7-methyl-3-(4-nitrophenyl)-6H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 10661772) has the molecular formula C15H10N2O5 and a molecular weight of 298.25 g/mol. Its IUPAC name is 7-methyl-3-(4-nitrophenyl)-6H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name7-methyl-3-(4-nitrophenyl)-6H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID10661772
Molecular FormulaC15H10N2O5
Molecular Weight298.25 g/mol
Exact Mass298.06
IUPAC Name7-methyl-3-(4-nitrophenyl)-6H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2oc(=O)c(-c3ccc([N+](=O)[O-])cc3)cc2c(=O)[nH]1
InChIInChI=1S/C15H10N2O5/c1-8-6-13-12(14(18)16-8)7-11(15(19)22-13)9-2-4-10(5-3-9)17(20)21/h2-7H,1H3,(H,16,18)
InChIKeyIIZFHNVCTYBHNC-UHFFFAOYSA-N
XLogP2.36
TPSA106.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 6-methyl-3-[(4-nitrobenzoyl)amino]-2-oxo-2H-pyran-5-carboxylate
CID 1475735
N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide
CID 1475731
6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-nitrobenzoate
CID 7150678
ethyl 5-cyano-2-methyl-4-(4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate
CID 76309908
2-methyl-4-(4-nitrophenyl)-2H-furan-5-one
CID 506534
Ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 2764051
Methyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 2850926
6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-methyl-3-nitrobenzoate
CID 7150681
4-hydroxy-6-methyl-3-(4-nitrophenyl)-1H-pyridin-2-one
CID 54719908
ethyl 5-cyano-4-(4-nitrophenyl)-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
CID 12550723
3-(p-Nitrophenyl)-5-carbethoxy-6-methyl-2-pyrone
CID 13497384
2-(4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylic acid methyl ester
CID 24978048

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(4-nitrophenyl)-6H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 7-methyl-3-(4-nitrophenyl)-6H-pyrano[3,2-c]pyridine-2,5-dione (CID 10661772) is 7-methyl-3-(4-nitrophenyl)-6H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 7-methyl-3-(4-nitrophenyl)-6H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 7-methyl-3-(4-nitrophenyl)-6H-pyrano[3,2-c]pyridine-2,5-dione is Cc1cc2oc(=O)c(-c3ccc([N+](=O)[O-])cc3)cc2c(=O)[nH]1.
What is the InChIKey of 7-methyl-3-(4-nitrophenyl)-6H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is IIZFHNVCTYBHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O5/c1-8-6-13-12(14(18)16-8)7-11(15(19)22-13)9-2-4-10(5-3-9)17(20)21/h2-7H,1H3,(H,16,18).
What are the key properties of 7-methyl-3-(4-nitrophenyl)-6H-pyrano[3,2-c]pyridine-2,5-dione?
7-methyl-3-(4-nitrophenyl)-6H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 298.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-nitrophenyl)-6H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 10661772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).