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

C10H8FNO — CID 115004206

IUPAC7-fluoro-3-methyl-1H-indole-5-carbaldehyde
SMILESCc1c[nH]c2c(F)cc(C=O)cc12
InChIInChI=1S/C10H8FNO/c1-6-4-12-10-8(6)2-7(5-13)3-9(10)11/h2-5,12H,1H3
InChIKeyAKDRKZAZUIJHDE-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.43
Rot. Bonds1

About 7-fluoro-3-methyl-1H-indole-5-carbaldehyde

7-fluoro-3-methyl-1H-indole-5-carbaldehyde (PubChem CID 115004206) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 7-fluoro-3-methyl-1H-indole-5-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-3-methyl-1H-indole-5-carbaldehyde
PubChem CID115004206
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name7-fluoro-3-methyl-1H-indole-5-carbaldehyde
SMILESCc1c[nH]c2c(F)cc(C=O)cc12
InChIInChI=1S/C10H8FNO/c1-6-4-12-10-8(6)2-7(5-13)3-9(10)11/h2-5,12H,1H3
InChIKeyAKDRKZAZUIJHDE-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': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-1H-indole-5-carbaldehyde?
The IUPAC name of 7-fluoro-3-methyl-1H-indole-5-carbaldehyde (CID 115004206) is 7-fluoro-3-methyl-1H-indole-5-carbaldehyde.
What is the SMILES notation for 7-fluoro-3-methyl-1H-indole-5-carbaldehyde?
The canonical SMILES for 7-fluoro-3-methyl-1H-indole-5-carbaldehyde is Cc1c[nH]c2c(F)cc(C=O)cc12.
What is the InChIKey of 7-fluoro-3-methyl-1H-indole-5-carbaldehyde?
The InChIKey is AKDRKZAZUIJHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-6-4-12-10-8(6)2-7(5-13)3-9(10)11/h2-5,12H,1H3.
What are the key properties of 7-fluoro-3-methyl-1H-indole-5-carbaldehyde?
7-fluoro-3-methyl-1H-indole-5-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 7-fluoro-3-methyl-1H-indole-5-carbaldehyde is sourced from PubChem (CID 115004206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).