4-chloro-7-fluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione

C15H10ClFN2O2 — CID 61358109

IUPAC4-chloro-7-fluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCc2ccccn2)c2c(F)ccc(Cl)c21
InChIInChI=1S/C15H10ClFN2O2/c16-10-4-5-11(17)13-12(10)14(20)15(21)19(13)8-6-9-3-1-2-7-18-9/h1-5,7H,6,8H2
InChIKeyUHVSXEKUUODTLQ-UHFFFAOYSA-N
MW304.71 g/mol
LogP2.65
Rot. Bonds3

About 4-chloro-7-fluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione

4-chloro-7-fluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione (PubChem CID 61358109) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is 4-chloro-7-fluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione.

Molecular Properties

Compound Name4-chloro-7-fluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione
PubChem CID61358109
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name4-chloro-7-fluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCc2ccccn2)c2c(F)ccc(Cl)c21
InChIInChI=1S/C15H10ClFN2O2/c16-10-4-5-11(17)13-12(10)14(20)15(21)19(13)8-6-9-3-1-2-7-18-9/h1-5,7H,6,8H2
InChIKeyUHVSXEKUUODTLQ-UHFFFAOYSA-N
XLogP2.65
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61356316
1-butyl-4-chloro-7-fluoroindole-2,3-dione
CID 61358887
6,7-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61357076
4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61357169
4-chloro-1-(2,3-dihydroxypropyl)-7-fluoroindole-2,3-dione
CID 82851176
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
1-[2-(bromomethyl)butyl]-4-chloro-7-fluoroindole-2,3-dione
CID 64995254
1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
CID 27175600
4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175249
5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61355626
4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione
CID 61357910
1-[(2-chloro-4-pyridinyl)methyl]-4,7-difluoroindole-2,3-dione
CID 83206438

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione?
The IUPAC name of 4-chloro-7-fluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione (CID 61358109) is 4-chloro-7-fluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione.
What is the SMILES notation for 4-chloro-7-fluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione?
The canonical SMILES for 4-chloro-7-fluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione is O=C1C(=O)N(CCc2ccccn2)c2c(F)ccc(Cl)c21.
What is the InChIKey of 4-chloro-7-fluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione?
The InChIKey is UHVSXEKUUODTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c16-10-4-5-11(17)13-12(10)14(20)15(21)19(13)8-6-9-3-1-2-7-18-9/h1-5,7H,6,8H2.
What are the key properties of 4-chloro-7-fluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione?
4-chloro-7-fluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione has a molecular weight of 304.71 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione is sourced from PubChem (CID 61358109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).