2,3-difluoro-5-nitro-1H-indole

C8H4F2N2O2 — CID 100933686

IUPAC2,3-difluoro-5-nitro-1H-indole
SMILESO=[N+]([O-])c1ccc2[nH]c(F)c(F)c2c1
InChIInChI=1S/C8H4F2N2O2/c9-7-5-3-4(12(13)14)1-2-6(5)11-8(7)10/h1-3,11H
InChIKeyVQWOUOMDDCMPKQ-UHFFFAOYSA-N
MW198.13 g/mol
LogP2.35
Rot. Bonds1

About 2,3-difluoro-5-nitro-1H-indole

2,3-difluoro-5-nitro-1H-indole (PubChem CID 100933686) has the molecular formula C8H4F2N2O2 and a molecular weight of 198.13 g/mol. Its IUPAC name is 2,3-difluoro-5-nitro-1H-indole.

Molecular Properties

Compound Name2,3-difluoro-5-nitro-1H-indole
PubChem CID100933686
Molecular FormulaC8H4F2N2O2
Molecular Weight198.13 g/mol
Exact Mass198.02
IUPAC Name2,3-difluoro-5-nitro-1H-indole
SMILESO=[N+]([O-])c1ccc2[nH]c(F)c(F)c2c1
InChIInChI=1S/C8H4F2N2O2/c9-7-5-3-4(12(13)14)1-2-6(5)11-8(7)10/h1-3,11H
InChIKeyVQWOUOMDDCMPKQ-UHFFFAOYSA-N
XLogP2.35
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole
CID 11653124
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3-methyl-6-nitro-9H-carbazole
CID 58160212
4-hydroxy-3,6-dinitro-1H-quinolin-2-one
CID 54696471
9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one
CID 11695086
1-chloro-6-nitro-9H-carbazole
CID 163637234
3-methyl-5-nitro-1H-indole-2-carboxylate
CID 6963900
6-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 4038142
2-methyl-6-nitro-10H-acridin-9-one
CID 154179171
7-nitro-1H-quinazoline-2,4-dione
CID 3398113
2,3-difluoro-5-nitro-1-benzothiophene
CID 131059843
3-acetyl-4-methylsulfanyl-6-nitro-1H-quinolin-2-one
CID 19926876

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-nitro-1H-indole?
The IUPAC name of 2,3-difluoro-5-nitro-1H-indole (CID 100933686) is 2,3-difluoro-5-nitro-1H-indole.
What is the SMILES notation for 2,3-difluoro-5-nitro-1H-indole?
The canonical SMILES for 2,3-difluoro-5-nitro-1H-indole is O=[N+]([O-])c1ccc2[nH]c(F)c(F)c2c1.
What is the InChIKey of 2,3-difluoro-5-nitro-1H-indole?
The InChIKey is VQWOUOMDDCMPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O2/c9-7-5-3-4(12(13)14)1-2-6(5)11-8(7)10/h1-3,11H.
What are the key properties of 2,3-difluoro-5-nitro-1H-indole?
2,3-difluoro-5-nitro-1H-indole has a molecular weight of 198.13 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-nitro-1H-indole is sourced from PubChem (CID 100933686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).