3-amino-6-chloro-1,3-benzoxazine-2,4-dione

C8H5ClN2O3 — CID 12792175

IUPAC3-amino-6-chloro-1,3-benzoxazine-2,4-dione
SMILESNn1c(=O)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C8H5ClN2O3/c9-4-1-2-6-5(3-4)7(12)11(10)8(13)14-6/h1-3H,10H2
InChIKeyRKXCSTHKAMUUQC-UHFFFAOYSA-N
MW212.59 g/mol
LogP0.32
Rot. Bonds

About 3-amino-6-chloro-1,3-benzoxazine-2,4-dione

3-amino-6-chloro-1,3-benzoxazine-2,4-dione (PubChem CID 12792175) has the molecular formula C8H5ClN2O3 and a molecular weight of 212.59 g/mol. Its IUPAC name is 3-amino-6-chloro-1,3-benzoxazine-2,4-dione.

Molecular Properties

Compound Name3-amino-6-chloro-1,3-benzoxazine-2,4-dione
PubChem CID12792175
Molecular FormulaC8H5ClN2O3
Molecular Weight212.59 g/mol
Exact Mass212.00
IUPAC Name3-amino-6-chloro-1,3-benzoxazine-2,4-dione
SMILESNn1c(=O)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C8H5ClN2O3/c9-4-1-2-6-5(3-4)7(12)11(10)8(13)14-6/h1-3H,10H2
InChIKeyRKXCSTHKAMUUQC-UHFFFAOYSA-N
XLogP0.32
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.59
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-1,3-benzoxazine-2,4-dione?
The IUPAC name of 3-amino-6-chloro-1,3-benzoxazine-2,4-dione (CID 12792175) is 3-amino-6-chloro-1,3-benzoxazine-2,4-dione.
What is the SMILES notation for 3-amino-6-chloro-1,3-benzoxazine-2,4-dione?
The canonical SMILES for 3-amino-6-chloro-1,3-benzoxazine-2,4-dione is Nn1c(=O)oc2ccc(Cl)cc2c1=O.
What is the InChIKey of 3-amino-6-chloro-1,3-benzoxazine-2,4-dione?
The InChIKey is RKXCSTHKAMUUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O3/c9-4-1-2-6-5(3-4)7(12)11(10)8(13)14-6/h1-3H,10H2.
What are the key properties of 3-amino-6-chloro-1,3-benzoxazine-2,4-dione?
3-amino-6-chloro-1,3-benzoxazine-2,4-dione has a molecular weight of 212.59 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-1,3-benzoxazine-2,4-dione is sourced from PubChem (CID 12792175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).