5-fluoro-1-methylindole-3-carbaldehyde

C10H8FNO — CID 1382009

IUPAC5-fluoro-1-methylindole-3-carbaldehyde
SMILESCn1cc(C=O)c2cc(F)ccc21
InChIInChI=1S/C10H8FNO/c1-12-5-7(6-13)9-4-8(11)2-3-10(9)12/h2-6H,1H3
InChIKeyZBZJEWSFESAGMQ-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.13
Rot. Bonds1

About 5-fluoro-1-methylindole-3-carbaldehyde

5-fluoro-1-methylindole-3-carbaldehyde (PubChem CID 1382009) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 5-fluoro-1-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-1-methylindole-3-carbaldehyde
PubChem CID1382009
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name5-fluoro-1-methylindole-3-carbaldehyde
SMILESCn1cc(C=O)c2cc(F)ccc21
InChIInChI=1S/C10H8FNO/c1-12-5-7(6-13)9-4-8(11)2-3-10(9)12/h2-6H,1H3
InChIKeyZBZJEWSFESAGMQ-UHFFFAOYSA-N
XLogP2.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methylindole-3-carbaldehyde?
The IUPAC name of 5-fluoro-1-methylindole-3-carbaldehyde (CID 1382009) is 5-fluoro-1-methylindole-3-carbaldehyde.
What is the SMILES notation for 5-fluoro-1-methylindole-3-carbaldehyde?
The canonical SMILES for 5-fluoro-1-methylindole-3-carbaldehyde is Cn1cc(C=O)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-methylindole-3-carbaldehyde?
The InChIKey is ZBZJEWSFESAGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-12-5-7(6-13)9-4-8(11)2-3-10(9)12/h2-6H,1H3.
What are the key properties of 5-fluoro-1-methylindole-3-carbaldehyde?
5-fluoro-1-methylindole-3-carbaldehyde has a molecular weight of 177.18 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methylindole-3-carbaldehyde is sourced from PubChem (CID 1382009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).