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

C9H6ClNO3 — CID 26724

IUPAC6-chloro-1-methyl-3,1-benzoxazine-2,4-dione
SMILESCn1c(=O)oc(=O)c2cc(Cl)ccc21
InChIInChI=1S/C9H6ClNO3/c1-11-7-3-2-5(10)4-6(7)8(12)14-9(11)13/h2-4H,1H3
InChIKeyFKTQNWWDMJDNHA-UHFFFAOYSA-N
MW211.60 g/mol
LogP1.15
Rot. Bonds

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

6-chloro-1-methyl-3,1-benzoxazine-2,4-dione (PubChem CID 26724) has the molecular formula C9H6ClNO3 and a molecular weight of 211.60 g/mol. Its IUPAC name is 6-chloro-1-methyl-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-methyl-3,1-benzoxazine-2,4-dione
PubChem CID26724
Molecular FormulaC9H6ClNO3
Molecular Weight211.60 g/mol
Exact Mass211.00
IUPAC Name6-chloro-1-methyl-3,1-benzoxazine-2,4-dione
SMILESCn1c(=O)oc(=O)c2cc(Cl)ccc21
InChIInChI=1S/C9H6ClNO3/c1-11-7-3-2-5(10)4-6(7)8(12)14-9(11)13/h2-4H,1H3
InChIKeyFKTQNWWDMJDNHA-UHFFFAOYSA-N
XLogP1.15
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.60
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-Methylisatoic anhydride
CID 25160
5-Chloroisatoic anhydride
CID 78480
6-Chloro-2-methyl-4H-3,1-benzoxazin-4-one
CID 291134
3-Chloroisatoic anhydride
CID 517535
N-Benzylisatoic anhydride
CID 520756
N-ethylisatoic anhydride
CID 3249856
Methyl N-(3-chlorobenzoyl)anthranilate
CID 306211
6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione
CID 78413
5-chloro-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
CID 639058
2-Acetamido-5-chlorobenzoic Acid Methyl Ester
CID 4640571
4-Chloroisatoic anhydride
CID 329105
N-Allylisatoic anhydride
CID 735787

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-3,1-benzoxazine-2,4-dione?
The IUPAC name of 6-chloro-1-methyl-3,1-benzoxazine-2,4-dione (CID 26724) is 6-chloro-1-methyl-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 6-chloro-1-methyl-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 6-chloro-1-methyl-3,1-benzoxazine-2,4-dione is Cn1c(=O)oc(=O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-methyl-3,1-benzoxazine-2,4-dione?
The InChIKey is FKTQNWWDMJDNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3/c1-11-7-3-2-5(10)4-6(7)8(12)14-9(11)13/h2-4H,1H3.
What are the key properties of 6-chloro-1-methyl-3,1-benzoxazine-2,4-dione?
6-chloro-1-methyl-3,1-benzoxazine-2,4-dione has a molecular weight of 211.60 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 26724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).