8-chloro-4H-[1]benzofuro[2,3-c]pyridine-1,3-dione

C11H6ClNO3 — CID 159149319

IUPAC8-chloro-4H-[1]benzofuro[2,3-c]pyridine-1,3-dione
SMILESO=C1Cc2c(oc3c(Cl)cccc23)C(=O)N1
InChIInChI=1S/C11H6ClNO3/c12-7-3-1-2-5-6-4-8(14)13-11(15)10(6)16-9(5)7/h1-3H,4H2,(H,13,14,15)
InChIKeyIGFWNNYWEGULLS-UHFFFAOYSA-N
MW235.63 g/mol
LogP1.90
Rot. Bonds

About 8-chloro-4H-[1]benzofuro[2,3-c]pyridine-1,3-dione

8-chloro-4H-[1]benzofuro[2,3-c]pyridine-1,3-dione (PubChem CID 159149319) has the molecular formula C11H6ClNO3 and a molecular weight of 235.63 g/mol. Its IUPAC name is 8-chloro-4H-[1]benzofuro[2,3-c]pyridine-1,3-dione.

Molecular Properties

Compound Name8-chloro-4H-[1]benzofuro[2,3-c]pyridine-1,3-dione
PubChem CID159149319
Molecular FormulaC11H6ClNO3
Molecular Weight235.63 g/mol
Exact Mass235.00
IUPAC Name8-chloro-4H-[1]benzofuro[2,3-c]pyridine-1,3-dione
SMILESO=C1Cc2c(oc3c(Cl)cccc23)C(=O)N1
InChIInChI=1S/C11H6ClNO3/c12-7-3-1-2-5-6-4-8(14)13-11(15)10(6)16-9(5)7/h1-3H,4H2,(H,13,14,15)
InChIKeyIGFWNNYWEGULLS-UHFFFAOYSA-N
XLogP1.90
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.63
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-1,3-benzoxazine-2,4-dione
CID 11571962
8-chloro-4H-isoquinoline-1,3-dione
CID 125180476
6-chloro-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine
CID 130013859
5-chloro-2-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 150748551
3-amino-8-chloro-4-hydroxychromen-2-one
CID 130018302
7-chloro-1,2-benzoxazol-3-one
CID 11286706
(3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione
CID 114489016
4-(bromomethyl)-5-chloroxanthen-9-one
CID 14519936
2,7-dichloro-1-benzofuran-3-carboxylic acid
CID 83823886
2-(4-bromophenyl)-8-chlorochromen-4-one
CID 164809854
4-(8-chloro-4-oxochromen-2-yl)benzoic acid
CID 82043700
1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 880395

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4H-[1]benzofuro[2,3-c]pyridine-1,3-dione?
The IUPAC name of 8-chloro-4H-[1]benzofuro[2,3-c]pyridine-1,3-dione (CID 159149319) is 8-chloro-4H-[1]benzofuro[2,3-c]pyridine-1,3-dione.
What is the SMILES notation for 8-chloro-4H-[1]benzofuro[2,3-c]pyridine-1,3-dione?
The canonical SMILES for 8-chloro-4H-[1]benzofuro[2,3-c]pyridine-1,3-dione is O=C1Cc2c(oc3c(Cl)cccc23)C(=O)N1.
What is the InChIKey of 8-chloro-4H-[1]benzofuro[2,3-c]pyridine-1,3-dione?
The InChIKey is IGFWNNYWEGULLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNO3/c12-7-3-1-2-5-6-4-8(14)13-11(15)10(6)16-9(5)7/h1-3H,4H2,(H,13,14,15).
What are the key properties of 8-chloro-4H-[1]benzofuro[2,3-c]pyridine-1,3-dione?
8-chloro-4H-[1]benzofuro[2,3-c]pyridine-1,3-dione has a molecular weight of 235.63 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4H-[1]benzofuro[2,3-c]pyridine-1,3-dione is sourced from PubChem (CID 159149319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).