7-chloro-5-fluoro-1-methylindole-2,3-dione

C9H5ClFNO2 — CID 131586572

IUPAC7-chloro-5-fluoro-1-methylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2cc(F)cc(Cl)c21
InChIInChI=1S/C9H5ClFNO2/c1-12-7-5(8(13)9(12)14)2-4(11)3-6(7)10/h2-3H,1H3
InChIKeyXJFKLQYWJRQJHM-UHFFFAOYSA-N
MW213.59 g/mol
LogP1.64
Rot. Bonds

About 7-chloro-5-fluoro-1-methylindole-2,3-dione

7-chloro-5-fluoro-1-methylindole-2,3-dione (PubChem CID 131586572) has the molecular formula C9H5ClFNO2 and a molecular weight of 213.59 g/mol. Its IUPAC name is 7-chloro-5-fluoro-1-methylindole-2,3-dione.

Molecular Properties

Compound Name7-chloro-5-fluoro-1-methylindole-2,3-dione
PubChem CID131586572
Molecular FormulaC9H5ClFNO2
Molecular Weight213.59 g/mol
Exact Mass213.00
IUPAC Name7-chloro-5-fluoro-1-methylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2cc(F)cc(Cl)c21
InChIInChI=1S/C9H5ClFNO2/c1-12-7-5(8(13)9(12)14)2-4(11)3-6(7)10/h2-3H,1H3
InChIKeyXJFKLQYWJRQJHM-UHFFFAOYSA-N
XLogP1.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-1-methylindole-2,3-dione?
The IUPAC name of 7-chloro-5-fluoro-1-methylindole-2,3-dione (CID 131586572) is 7-chloro-5-fluoro-1-methylindole-2,3-dione.
What is the SMILES notation for 7-chloro-5-fluoro-1-methylindole-2,3-dione?
The canonical SMILES for 7-chloro-5-fluoro-1-methylindole-2,3-dione is CN1C(=O)C(=O)c2cc(F)cc(Cl)c21.
What is the InChIKey of 7-chloro-5-fluoro-1-methylindole-2,3-dione?
The InChIKey is XJFKLQYWJRQJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO2/c1-12-7-5(8(13)9(12)14)2-4(11)3-6(7)10/h2-3H,1H3.
What are the key properties of 7-chloro-5-fluoro-1-methylindole-2,3-dione?
7-chloro-5-fluoro-1-methylindole-2,3-dione has a molecular weight of 213.59 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-1-methylindole-2,3-dione is sourced from PubChem (CID 131586572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).