1-methyl-6-nitroindole-2-carbaldehyde

C10H8N2O3 — CID 105455916

IUPAC1-methyl-6-nitroindole-2-carbaldehyde
SMILESCn1c(C=O)cc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C10H8N2O3/c1-11-9(6-13)4-7-2-3-8(12(14)15)5-10(7)11/h2-6H,1H3
InChIKeyZLEBMDPRAVSQRH-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.90
Rot. Bonds2

About 1-methyl-6-nitroindole-2-carbaldehyde

1-methyl-6-nitroindole-2-carbaldehyde (PubChem CID 105455916) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-methyl-6-nitroindole-2-carbaldehyde.

Molecular Properties

Compound Name1-methyl-6-nitroindole-2-carbaldehyde
PubChem CID105455916
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name1-methyl-6-nitroindole-2-carbaldehyde
SMILESCn1c(C=O)cc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C10H8N2O3/c1-11-9(6-13)4-7-2-3-8(12(14)15)5-10(7)11/h2-6H,1H3
InChIKeyZLEBMDPRAVSQRH-UHFFFAOYSA-N
XLogP1.90
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

9-methyl-6-nitrocarbazole-3-carbaldehyde
CID 23559399
2-(1-methyl-6-nitroindol-2-yl)ethynyl-tri(propan-2-yl)silane
CID 134946923
1-methyl-6-nitro-2-(trifluoromethyl)benzimidazole
CID 67283381
1-hydroxy-6-nitroindol-2-ol
CID 91576861
2-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-6-nitroindole
CID 175965406
1,2,3-trimethyl-5-nitrobenzimidazol-1-ium
CID 101101560
1-(3-methylbutyl)-6-nitroindole
CID 116621059
(1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol
CID 676758
1-methyl-6-nitroquinazolin-2-one
CID 135386678
1-methyl-2-[4-(1-methyl-5-nitrobenzimidazol-2-yl)phenyl]-5-nitrobenzimidazole
CID 138618315
9-methoxy-3,6-dinitrocarbazole
CID 155908521
1-butyl-6-nitroindazole
CID 155169975

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-nitroindole-2-carbaldehyde?
The IUPAC name of 1-methyl-6-nitroindole-2-carbaldehyde (CID 105455916) is 1-methyl-6-nitroindole-2-carbaldehyde.
What is the SMILES notation for 1-methyl-6-nitroindole-2-carbaldehyde?
The canonical SMILES for 1-methyl-6-nitroindole-2-carbaldehyde is Cn1c(C=O)cc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 1-methyl-6-nitroindole-2-carbaldehyde?
The InChIKey is ZLEBMDPRAVSQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-11-9(6-13)4-7-2-3-8(12(14)15)5-10(7)11/h2-6H,1H3.
What are the key properties of 1-methyl-6-nitroindole-2-carbaldehyde?
1-methyl-6-nitroindole-2-carbaldehyde has a molecular weight of 204.19 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-nitroindole-2-carbaldehyde is sourced from PubChem (CID 105455916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).