5-fluoro-3-methyl-1H-indole-2-carbaldehyde

C10H8FNO — CID 1132969

IUPAC5-fluoro-3-methyl-1H-indole-2-carbaldehyde
SMILESCc1c(C=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C10H8FNO/c1-6-8-4-7(11)2-3-9(8)12-10(6)5-13/h2-5,12H,1H3
InChIKeyIOXCNOLBLABFGH-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.43
Rot. Bonds1

About 5-fluoro-3-methyl-1H-indole-2-carbaldehyde

5-fluoro-3-methyl-1H-indole-2-carbaldehyde (PubChem CID 1132969) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 5-fluoro-3-methyl-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-3-methyl-1H-indole-2-carbaldehyde
PubChem CID1132969
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name5-fluoro-3-methyl-1H-indole-2-carbaldehyde
SMILESCc1c(C=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C10H8FNO/c1-6-8-4-7(11)2-3-9(8)12-10(6)5-13/h2-5,12H,1H3
InChIKeyIOXCNOLBLABFGH-UHFFFAOYSA-N
XLogP2.43
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-1H-indole-2-carbaldehyde?
The IUPAC name of 5-fluoro-3-methyl-1H-indole-2-carbaldehyde (CID 1132969) is 5-fluoro-3-methyl-1H-indole-2-carbaldehyde.
What is the SMILES notation for 5-fluoro-3-methyl-1H-indole-2-carbaldehyde?
The canonical SMILES for 5-fluoro-3-methyl-1H-indole-2-carbaldehyde is Cc1c(C=O)[nH]c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-1H-indole-2-carbaldehyde?
The InChIKey is IOXCNOLBLABFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-6-8-4-7(11)2-3-9(8)12-10(6)5-13/h2-5,12H,1H3.
What are the key properties of 5-fluoro-3-methyl-1H-indole-2-carbaldehyde?
5-fluoro-3-methyl-1H-indole-2-carbaldehyde has a molecular weight of 177.18 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-1H-indole-2-carbaldehyde is sourced from PubChem (CID 1132969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).