6-hydroxy-4-methyl-7-nitrochromen-2-one

C10H7NO5 — CID 10987809

IUPAC6-hydroxy-4-methyl-7-nitrochromen-2-one
SMILESCc1cc(=O)oc2cc([N+](=O)[O-])c(O)cc12
InChIInChI=1S/C10H7NO5/c1-5-2-10(13)16-9-4-7(11(14)15)8(12)3-6(5)9/h2-4,12H,1H3
InChIKeyOVPVWHWOYCVAJI-UHFFFAOYSA-N
MW221.17 g/mol
LogP1.72
Rot. Bonds1

About 6-hydroxy-4-methyl-7-nitrochromen-2-one

6-hydroxy-4-methyl-7-nitrochromen-2-one (PubChem CID 10987809) has the molecular formula C10H7NO5 and a molecular weight of 221.17 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-7-nitrochromen-2-one.

Molecular Properties

Compound Name6-hydroxy-4-methyl-7-nitrochromen-2-one
PubChem CID10987809
Molecular FormulaC10H7NO5
Molecular Weight221.17 g/mol
Exact Mass221.03
IUPAC Name6-hydroxy-4-methyl-7-nitrochromen-2-one
SMILESCc1cc(=O)oc2cc([N+](=O)[O-])c(O)cc12
InChIInChI=1S/C10H7NO5/c1-5-2-10(13)16-9-4-7(11(14)15)8(12)3-6(5)9/h2-4,12H,1H3
InChIKeyOVPVWHWOYCVAJI-UHFFFAOYSA-N
XLogP1.72
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-6-nitro-7-pentoxychromen-2-one
CID 19194754
6-(dihydroxyamino)-4-methyl-2-oxochromen-7-olate
CID 20831207
4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol
CID 18172665
7-hydroxy-4-methyl-6-nitro-2-oxochromene-3-carbonitrile
CID 71415877
sodium 2-(6-hydroxy-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 23704348
propan-2-yl 2-(4-methyl-6-nitro-2-oxochromen-7-yl)oxyacetate
CID 19194763
4-hydroxy-2-methyl-5-nitrobenzaldehyde
CID 86664213
ethyl 7-hydroxy-6-nitro-4-oxochromene-2-carboxylate
CID 5378077
(4-methyl-2-oxochromen-7-yl) 3-methyl-4-nitrobenzoate
CID 733897
5-bromo-4-methyl-2-nitrophenol
CID 82184524
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
9-hydroxy-1-methyl-10-nitrobenzo[f]chromen-3-one
CID 139226524

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-7-nitrochromen-2-one?
The IUPAC name of 6-hydroxy-4-methyl-7-nitrochromen-2-one (CID 10987809) is 6-hydroxy-4-methyl-7-nitrochromen-2-one.
What is the SMILES notation for 6-hydroxy-4-methyl-7-nitrochromen-2-one?
The canonical SMILES for 6-hydroxy-4-methyl-7-nitrochromen-2-one is Cc1cc(=O)oc2cc([N+](=O)[O-])c(O)cc12.
What is the InChIKey of 6-hydroxy-4-methyl-7-nitrochromen-2-one?
The InChIKey is OVPVWHWOYCVAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO5/c1-5-2-10(13)16-9-4-7(11(14)15)8(12)3-6(5)9/h2-4,12H,1H3.
What are the key properties of 6-hydroxy-4-methyl-7-nitrochromen-2-one?
6-hydroxy-4-methyl-7-nitrochromen-2-one has a molecular weight of 221.17 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-7-nitrochromen-2-one is sourced from PubChem (CID 10987809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).