3-iodo-1,4-dimethyl-5-nitroindole

C10H9IN2O2 — CID 118865624

IUPAC3-iodo-1,4-dimethyl-5-nitroindole
SMILESCc1c([N+](=O)[O-])ccc2c1c(I)cn2C
InChIInChI=1S/C10H9IN2O2/c1-6-8(13(14)15)3-4-9-10(6)7(11)5-12(9)2/h3-5H,1-2H3
InChIKeyBWVRSVTUJSTENK-UHFFFAOYSA-N
MW316.10 g/mol
LogP3.00
Rot. Bonds1

About 3-iodo-1,4-dimethyl-5-nitroindole

3-iodo-1,4-dimethyl-5-nitroindole (PubChem CID 118865624) has the molecular formula C10H9IN2O2 and a molecular weight of 316.10 g/mol. Its IUPAC name is 3-iodo-1,4-dimethyl-5-nitroindole.

Molecular Properties

Compound Name3-iodo-1,4-dimethyl-5-nitroindole
PubChem CID118865624
Molecular FormulaC10H9IN2O2
Molecular Weight316.10 g/mol
Exact Mass315.97
IUPAC Name3-iodo-1,4-dimethyl-5-nitroindole
SMILESCc1c([N+](=O)[O-])ccc2c1c(I)cn2C
InChIInChI=1S/C10H9IN2O2/c1-6-8(13(14)15)3-4-9-10(6)7(11)5-12(9)2/h3-5H,1-2H3
InChIKeyBWVRSVTUJSTENK-UHFFFAOYSA-N
XLogP3.00
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1,4-dimethyl-5-nitroindol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 141433423
3-bromo-1-iodo-2-methyl-4-nitrobenzene
CID 70549188
4-bromo-3-iodo-1-methyl-5-nitroindazole
CID 139413975
2-chloro-1,4-dimethyl-5-nitrobenzimidazole
CID 168827001
7-iodo-3-methyl-4-nitro-1-benzothiophene
CID 130788361
2,3-dimethyl-1-nitro-4-(trifluoromethyl)benzene
CID 119006674
2-(1-methyl-3-nitroindol-4-yl)ethanamine
CID 83888685
4-chloro-5-methyl-6-nitroquinoline-3-carbonitrile
CID 69257904
N-ethyl-3-iodo-N-methyl-4-nitroaniline
CID 106494021
3-iodo-N-methyl-N-(2-methylbutan-2-yl)-4-nitroaniline
CID 106494493
2-methyl-1-methylsulfonyl-3-nitrobenzene
CID 11746002
6-fluoro-2-methyl-3-nitrobenzenethiol
CID 130849844

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1,4-dimethyl-5-nitroindole?
The IUPAC name of 3-iodo-1,4-dimethyl-5-nitroindole (CID 118865624) is 3-iodo-1,4-dimethyl-5-nitroindole.
What is the SMILES notation for 3-iodo-1,4-dimethyl-5-nitroindole?
The canonical SMILES for 3-iodo-1,4-dimethyl-5-nitroindole is Cc1c([N+](=O)[O-])ccc2c1c(I)cn2C.
What is the InChIKey of 3-iodo-1,4-dimethyl-5-nitroindole?
The InChIKey is BWVRSVTUJSTENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O2/c1-6-8(13(14)15)3-4-9-10(6)7(11)5-12(9)2/h3-5H,1-2H3.
What are the key properties of 3-iodo-1,4-dimethyl-5-nitroindole?
3-iodo-1,4-dimethyl-5-nitroindole has a molecular weight of 316.10 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1,4-dimethyl-5-nitroindole is sourced from PubChem (CID 118865624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).