2-methyl-7-[(5-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one

C21H14N2O5 — CID 31255910

IUPAC2-methyl-7-[(5-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one
SMILESCc1oc2cc(Oc3ccc([N+](=O)[O-])cn3)ccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C21H14N2O5/c1-13-20(14-5-3-2-4-6-14)21(24)17-9-8-16(11-18(17)27-13)28-19-10-7-15(12-22-19)23(25)26/h2-12H,1H3
InChIKeyHOPXXUXKNGMZSC-UHFFFAOYSA-N
MW374.35 g/mol
LogP4.86
Rot. Bonds4

About 2-methyl-7-[(5-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one

2-methyl-7-[(5-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one (PubChem CID 31255910) has the molecular formula C21H14N2O5 and a molecular weight of 374.35 g/mol. Its IUPAC name is 2-methyl-7-[(5-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one.

Molecular Properties

Compound Name2-methyl-7-[(5-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one
PubChem CID31255910
Molecular FormulaC21H14N2O5
Molecular Weight374.35 g/mol
Exact Mass374.09
IUPAC Name2-methyl-7-[(5-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one
SMILESCc1oc2cc(Oc3ccc([N+](=O)[O-])cn3)ccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C21H14N2O5/c1-13-20(14-5-3-2-4-6-14)21(24)17-9-8-16(11-18(17)27-13)28-19-10-7-15(12-22-19)23(25)26/h2-12H,1H3
InChIKeyHOPXXUXKNGMZSC-UHFFFAOYSA-N
XLogP4.86
TPSA95.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methyl-7-[(5-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one 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

5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
7-[(3,4-dichlorophenyl)methoxy]-2-methyl-3-phenylchromen-4-one
CID 5025590
6-[(5-nitro-2-pyridinyl)oxy]quinoline
CID 47082227
7-[(3-nitrophenyl)methoxy]-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one
CID 23644940
N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline
CID 61027206
2-(2,6-dimethylphenoxy)-5-nitropyridine
CID 12675956
[2-methyl-3-(4-nitrophenyl)-4-oxochromen-7-yl] (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 40786441
2-[3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 6955021
7-ethoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
CID 4270221
N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7714060
7-[(3-methyl-5-nitro-2-pyridinyl)oxy]-4-(4-nitrophenyl)chromen-2-one
CID 133424636
7-methoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
CID 786636

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[(5-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one?
The IUPAC name of 2-methyl-7-[(5-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one (CID 31255910) is 2-methyl-7-[(5-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one.
What is the SMILES notation for 2-methyl-7-[(5-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one?
The canonical SMILES for 2-methyl-7-[(5-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one is Cc1oc2cc(Oc3ccc([N+](=O)[O-])cn3)ccc2c(=O)c1-c1ccccc1.
What is the InChIKey of 2-methyl-7-[(5-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one?
The InChIKey is HOPXXUXKNGMZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O5/c1-13-20(14-5-3-2-4-6-14)21(24)17-9-8-16(11-18(17)27-13)28-19-10-7-15(12-22-19)23(25)26/h2-12H,1H3.
What are the key properties of 2-methyl-7-[(5-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one?
2-methyl-7-[(5-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one has a molecular weight of 374.35 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[(5-nitro-2-pyridinyl)oxy]-3-phenylchromen-4-one is sourced from PubChem (CID 31255910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).