6-iodo-2,2-dimethyl-5-nitrochromene

C11H10INO3 — CID 11393379

IUPAC6-iodo-2,2-dimethyl-5-nitrochromene
SMILESCC1(C)C=Cc2c(ccc(I)c2[N+](=O)[O-])O1
InChIInChI=1S/C11H10INO3/c1-11(2)6-5-7-9(16-11)4-3-8(12)10(7)13(14)15/h3-6H,1-2H3
InChIKeyBUIMTKJLGZOIJB-UHFFFAOYSA-N
MW331.11 g/mol
LogP3.38
Rot. Bonds1

About 6-iodo-2,2-dimethyl-5-nitrochromene

6-iodo-2,2-dimethyl-5-nitrochromene (PubChem CID 11393379) has the molecular formula C11H10INO3 and a molecular weight of 331.11 g/mol. Its IUPAC name is 6-iodo-2,2-dimethyl-5-nitrochromene.

Molecular Properties

Compound Name6-iodo-2,2-dimethyl-5-nitrochromene
PubChem CID11393379
Molecular FormulaC11H10INO3
Molecular Weight331.11 g/mol
Exact Mass330.97
IUPAC Name6-iodo-2,2-dimethyl-5-nitrochromene
SMILESCC1(C)C=Cc2c(ccc(I)c2[N+](=O)[O-])O1
InChIInChI=1S/C11H10INO3/c1-11(2)6-5-7-9(16-11)4-3-8(12)10(7)13(14)15/h3-6H,1-2H3
InChIKeyBUIMTKJLGZOIJB-UHFFFAOYSA-N
XLogP3.38
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.11
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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-iodo-2,2-dimethyl-5-nitrochromene?
The IUPAC name of 6-iodo-2,2-dimethyl-5-nitrochromene (CID 11393379) is 6-iodo-2,2-dimethyl-5-nitrochromene.
What is the SMILES notation for 6-iodo-2,2-dimethyl-5-nitrochromene?
The canonical SMILES for 6-iodo-2,2-dimethyl-5-nitrochromene is CC1(C)C=Cc2c(ccc(I)c2[N+](=O)[O-])O1.
What is the InChIKey of 6-iodo-2,2-dimethyl-5-nitrochromene?
The InChIKey is BUIMTKJLGZOIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INO3/c1-11(2)6-5-7-9(16-11)4-3-8(12)10(7)13(14)15/h3-6H,1-2H3.
What are the key properties of 6-iodo-2,2-dimethyl-5-nitrochromene?
6-iodo-2,2-dimethyl-5-nitrochromene has a molecular weight of 331.11 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2,2-dimethyl-5-nitrochromene is sourced from PubChem (CID 11393379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).