3-(5,6-difluoro-3-nitroso-1H-indol-2-yl)-1-methylindol-2-ol

C17H11F2N3O2 — CID 136934890

IUPAC3-(5,6-difluoro-3-nitroso-1H-indol-2-yl)-1-methylindol-2-ol
SMILESCn1c(O)c(-c2[nH]c3cc(F)c(F)cc3c2N=O)c2ccccc21
InChIInChI=1S/C17H11F2N3O2/c1-22-13-5-3-2-4-8(13)14(17(22)23)16-15(21-24)9-6-10(18)11(19)7-12(9)20-16/h2-7,20,23H,1H3
InChIKeyLNCWOGMGOJFQER-UHFFFAOYSA-N
MW327.29 g/mol
LogP4.71
Rot. Bonds2

About 3-(5,6-difluoro-3-nitroso-1H-indol-2-yl)-1-methylindol-2-ol

3-(5,6-difluoro-3-nitroso-1H-indol-2-yl)-1-methylindol-2-ol (PubChem CID 136934890) has the molecular formula C17H11F2N3O2 and a molecular weight of 327.29 g/mol. Its IUPAC name is 3-(5,6-difluoro-3-nitroso-1H-indol-2-yl)-1-methylindol-2-ol.

Molecular Properties

Compound Name3-(5,6-difluoro-3-nitroso-1H-indol-2-yl)-1-methylindol-2-ol
PubChem CID136934890
Molecular FormulaC17H11F2N3O2
Molecular Weight327.29 g/mol
Exact Mass327.08
IUPAC Name3-(5,6-difluoro-3-nitroso-1H-indol-2-yl)-1-methylindol-2-ol
SMILESCn1c(O)c(-c2[nH]c3cc(F)c(F)cc3c2N=O)c2ccccc21
InChIInChI=1S/C17H11F2N3O2/c1-22-13-5-3-2-4-8(13)14(17(22)23)16-15(21-24)9-6-10(18)11(19)7-12(9)20-16/h2-7,20,23H,1H3
InChIKeyLNCWOGMGOJFQER-UHFFFAOYSA-N
XLogP4.71
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-difluoro-3-nitroso-1H-indol-2-yl)-1-methylindol-2-ol?
The IUPAC name of 3-(5,6-difluoro-3-nitroso-1H-indol-2-yl)-1-methylindol-2-ol (CID 136934890) is 3-(5,6-difluoro-3-nitroso-1H-indol-2-yl)-1-methylindol-2-ol.
What is the SMILES notation for 3-(5,6-difluoro-3-nitroso-1H-indol-2-yl)-1-methylindol-2-ol?
The canonical SMILES for 3-(5,6-difluoro-3-nitroso-1H-indol-2-yl)-1-methylindol-2-ol is Cn1c(O)c(-c2[nH]c3cc(F)c(F)cc3c2N=O)c2ccccc21.
What is the InChIKey of 3-(5,6-difluoro-3-nitroso-1H-indol-2-yl)-1-methylindol-2-ol?
The InChIKey is LNCWOGMGOJFQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2/c1-22-13-5-3-2-4-8(13)14(17(22)23)16-15(21-24)9-6-10(18)11(19)7-12(9)20-16/h2-7,20,23H,1H3.
What are the key properties of 3-(5,6-difluoro-3-nitroso-1H-indol-2-yl)-1-methylindol-2-ol?
3-(5,6-difluoro-3-nitroso-1H-indol-2-yl)-1-methylindol-2-ol has a molecular weight of 327.29 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-difluoro-3-nitroso-1H-indol-2-yl)-1-methylindol-2-ol is sourced from PubChem (CID 136934890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).