6-nitro-3-pyridin-2-ylchromen-2-one

C14H8N2O4 — CID 18824

IUPAC6-nitro-3-pyridin-2-ylchromen-2-one
SMILESO=c1oc2ccc([N+](=O)[O-])cc2cc1-c1ccccn1
InChIInChI=1S/C14H8N2O4/c17-14-11(12-3-1-2-6-15-12)8-9-7-10(16(18)19)4-5-13(9)20-14/h1-8H
InChIKeyDEVUZNNOKRMLDW-UHFFFAOYSA-N
MW268.23 g/mol
LogP2.76
Rot. Bonds2

About 6-nitro-3-pyridin-2-ylchromen-2-one

6-nitro-3-pyridin-2-ylchromen-2-one (PubChem CID 18824) has the molecular formula C14H8N2O4 and a molecular weight of 268.23 g/mol. Its IUPAC name is 6-nitro-3-pyridin-2-ylchromen-2-one.

Molecular Properties

Compound Name6-nitro-3-pyridin-2-ylchromen-2-one
PubChem CID18824
Molecular FormulaC14H8N2O4
Molecular Weight268.23 g/mol
Exact Mass268.05
IUPAC Name6-nitro-3-pyridin-2-ylchromen-2-one
SMILESO=c1oc2ccc([N+](=O)[O-])cc2cc1-c1ccccn1
InChIInChI=1S/C14H8N2O4/c17-14-11(12-3-1-2-6-15-12)8-9-7-10(16(18)19)4-5-13(9)20-14/h1-8H
InChIKeyDEVUZNNOKRMLDW-UHFFFAOYSA-N
XLogP2.76
TPSA86.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 52.76
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 6-nitro-3-pyridin-2-ylchromen-2-one?
The IUPAC name of 6-nitro-3-pyridin-2-ylchromen-2-one (CID 18824) is 6-nitro-3-pyridin-2-ylchromen-2-one.
What is the SMILES notation for 6-nitro-3-pyridin-2-ylchromen-2-one?
The canonical SMILES for 6-nitro-3-pyridin-2-ylchromen-2-one is O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1ccccn1.
What is the InChIKey of 6-nitro-3-pyridin-2-ylchromen-2-one?
The InChIKey is DEVUZNNOKRMLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O4/c17-14-11(12-3-1-2-6-15-12)8-9-7-10(16(18)19)4-5-13(9)20-14/h1-8H.
What are the key properties of 6-nitro-3-pyridin-2-ylchromen-2-one?
6-nitro-3-pyridin-2-ylchromen-2-one has a molecular weight of 268.23 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-3-pyridin-2-ylchromen-2-one is sourced from PubChem (CID 18824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).