6-fluoro-5-(2-hydroxyethoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one

C17H13FN2O3 — CID 10267663

IUPAC6-fluoro-5-(2-hydroxyethoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2ccc(F)c3c(OCCO)cc(-c4ccc[nH]4)c1c23
InChIInChI=1S/C17H13FN2O3/c18-10-3-4-12-16-14(17(22)20-12)9(11-2-1-5-19-11)8-13(15(10)16)23-7-6-21/h1-5,8,19,21H,6-7H2,(H,20,22)
InChIKeyUPPMBTMATLNYOX-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.91
Rot. Bonds4

About 6-fluoro-5-(2-hydroxyethoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one

6-fluoro-5-(2-hydroxyethoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one (PubChem CID 10267663) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 6-fluoro-5-(2-hydroxyethoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one.

Molecular Properties

Compound Name6-fluoro-5-(2-hydroxyethoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one
PubChem CID10267663
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name6-fluoro-5-(2-hydroxyethoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2ccc(F)c3c(OCCO)cc(-c4ccc[nH]4)c1c23
InChIInChI=1S/C17H13FN2O3/c18-10-3-4-12-16-14(17(22)20-12)9(11-2-1-5-19-11)8-13(15(10)16)23-7-6-21/h1-5,8,19,21H,6-7H2,(H,20,22)
InChIKeyUPPMBTMATLNYOX-UHFFFAOYSA-N
XLogP2.91
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(2-hydroxyethoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one?
The IUPAC name of 6-fluoro-5-(2-hydroxyethoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one (CID 10267663) is 6-fluoro-5-(2-hydroxyethoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one.
What is the SMILES notation for 6-fluoro-5-(2-hydroxyethoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one?
The canonical SMILES for 6-fluoro-5-(2-hydroxyethoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one is O=C1Nc2ccc(F)c3c(OCCO)cc(-c4ccc[nH]4)c1c23.
What is the InChIKey of 6-fluoro-5-(2-hydroxyethoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one?
The InChIKey is UPPMBTMATLNYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c18-10-3-4-12-16-14(17(22)20-12)9(11-2-1-5-19-11)8-13(15(10)16)23-7-6-21/h1-5,8,19,21H,6-7H2,(H,20,22).
What are the key properties of 6-fluoro-5-(2-hydroxyethoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one?
6-fluoro-5-(2-hydroxyethoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one has a molecular weight of 312.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(2-hydroxyethoxy)-3-(1H-pyrrol-2-yl)-1H-benzo[cd]indol-2-one is sourced from PubChem (CID 10267663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).