2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid

C10H8ClNO4 — CID 2735706

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid
SMILESO=C(O)CN1C(=O)COc2ccc(Cl)cc21
InChIInChI=1S/C10H8ClNO4/c11-6-1-2-8-7(3-6)12(4-10(14)15)9(13)5-16-8/h1-3H,4-5H2,(H,14,15)
InChIKeyCFZFARSJRUJYDY-UHFFFAOYSA-N
MW241.63 g/mol
LogP1.15
Rot. Bonds2

About 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid (PubChem CID 2735706) has the molecular formula C10H8ClNO4 and a molecular weight of 241.63 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid
PubChem CID2735706
Molecular FormulaC10H8ClNO4
Molecular Weight241.63 g/mol
Exact Mass241.01
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid
SMILESO=C(O)CN1C(=O)COc2ccc(Cl)cc21
InChIInChI=1S/C10H8ClNO4/c11-6-1-2-8-7(3-6)12(4-10(14)15)9(13)5-16-8/h1-3H,4-5H2,(H,14,15)
InChIKeyCFZFARSJRUJYDY-UHFFFAOYSA-N
XLogP1.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.63
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid (CID 2735706) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid is O=C(O)CN1C(=O)COc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid?
The InChIKey is CFZFARSJRUJYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO4/c11-6-1-2-8-7(3-6)12(4-10(14)15)9(13)5-16-8/h1-3H,4-5H2,(H,14,15).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid has a molecular weight of 241.63 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid is sourced from PubChem (CID 2735706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).