6-nitro-2-oxochromene-7-carbaldehyde

C10H5NO5 — CID 57367258

IUPAC6-nitro-2-oxochromene-7-carbaldehyde
SMILESO=Cc1cc2oc(=O)ccc2cc1[N+](=O)[O-]
InChIInChI=1S/C10H5NO5/c12-5-7-4-9-6(1-2-10(13)16-9)3-8(7)11(14)15/h1-5H
InChIKeyRJWWLEXSJISZEY-UHFFFAOYSA-N
MW219.15 g/mol
LogP1.51
Rot. Bonds2

About 6-nitro-2-oxochromene-7-carbaldehyde

6-nitro-2-oxochromene-7-carbaldehyde (PubChem CID 57367258) has the molecular formula C10H5NO5 and a molecular weight of 219.15 g/mol. Its IUPAC name is 6-nitro-2-oxochromene-7-carbaldehyde.

Molecular Properties

Compound Name6-nitro-2-oxochromene-7-carbaldehyde
PubChem CID57367258
Molecular FormulaC10H5NO5
Molecular Weight219.15 g/mol
Exact Mass219.02
IUPAC Name6-nitro-2-oxochromene-7-carbaldehyde
SMILESO=Cc1cc2oc(=O)ccc2cc1[N+](=O)[O-]
InChIInChI=1S/C10H5NO5/c12-5-7-4-9-6(1-2-10(13)16-9)3-8(7)11(14)15/h1-5H
InChIKeyRJWWLEXSJISZEY-UHFFFAOYSA-N
XLogP1.51
TPSA90.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-oxochromene-7-carbaldehyde?
The IUPAC name of 6-nitro-2-oxochromene-7-carbaldehyde (CID 57367258) is 6-nitro-2-oxochromene-7-carbaldehyde.
What is the SMILES notation for 6-nitro-2-oxochromene-7-carbaldehyde?
The canonical SMILES for 6-nitro-2-oxochromene-7-carbaldehyde is O=Cc1cc2oc(=O)ccc2cc1[N+](=O)[O-].
What is the InChIKey of 6-nitro-2-oxochromene-7-carbaldehyde?
The InChIKey is RJWWLEXSJISZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5NO5/c12-5-7-4-9-6(1-2-10(13)16-9)3-8(7)11(14)15/h1-5H.
What are the key properties of 6-nitro-2-oxochromene-7-carbaldehyde?
6-nitro-2-oxochromene-7-carbaldehyde has a molecular weight of 219.15 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-oxochromene-7-carbaldehyde is sourced from PubChem (CID 57367258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).