6-chloro-2-(2-iodophenyl)-3,1-benzoxazin-4-one

C14H7ClINO2 — CID 615914

IUPAC6-chloro-2-(2-iodophenyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2I)nc2ccc(Cl)cc12
InChIInChI=1S/C14H7ClINO2/c15-8-5-6-12-10(7-8)14(18)19-13(17-12)9-3-1-2-4-11(9)16/h1-7H
InChIKeyUFSWHVVYOZGHQQ-UHFFFAOYSA-N
MW383.57 g/mol
LogP4.11
Rot. Bonds1

About 6-chloro-2-(2-iodophenyl)-3,1-benzoxazin-4-one

6-chloro-2-(2-iodophenyl)-3,1-benzoxazin-4-one (PubChem CID 615914) has the molecular formula C14H7ClINO2 and a molecular weight of 383.57 g/mol. Its IUPAC name is 6-chloro-2-(2-iodophenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-chloro-2-(2-iodophenyl)-3,1-benzoxazin-4-one
PubChem CID615914
Molecular FormulaC14H7ClINO2
Molecular Weight383.57 g/mol
Exact Mass382.92
IUPAC Name6-chloro-2-(2-iodophenyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2I)nc2ccc(Cl)cc12
InChIInChI=1S/C14H7ClINO2/c15-8-5-6-12-10(7-8)14(18)19-13(17-12)9-3-1-2-4-11(9)16/h1-7H
InChIKeyUFSWHVVYOZGHQQ-UHFFFAOYSA-N
XLogP4.11
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.57
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-iodophenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 6-chloro-2-(2-iodophenyl)-3,1-benzoxazin-4-one (CID 615914) is 6-chloro-2-(2-iodophenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-chloro-2-(2-iodophenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 6-chloro-2-(2-iodophenyl)-3,1-benzoxazin-4-one is O=c1oc(-c2ccccc2I)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(2-iodophenyl)-3,1-benzoxazin-4-one?
The InChIKey is UFSWHVVYOZGHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClINO2/c15-8-5-6-12-10(7-8)14(18)19-13(17-12)9-3-1-2-4-11(9)16/h1-7H.
What are the key properties of 6-chloro-2-(2-iodophenyl)-3,1-benzoxazin-4-one?
6-chloro-2-(2-iodophenyl)-3,1-benzoxazin-4-one has a molecular weight of 383.57 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-iodophenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 615914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).