2-fluoro-1-methylindole-3-carbaldehyde

C10H8FNO — CID 141053587

IUPAC2-fluoro-1-methylindole-3-carbaldehyde
SMILESCn1c(F)c(C=O)c2ccccc21
InChIInChI=1S/C10H8FNO/c1-12-9-5-3-2-4-7(9)8(6-13)10(12)11/h2-6H,1H3
InChIKeyXZBYMJHWOSINRD-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.13
Rot. Bonds1

About 2-fluoro-1-methylindole-3-carbaldehyde

2-fluoro-1-methylindole-3-carbaldehyde (PubChem CID 141053587) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 2-fluoro-1-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-1-methylindole-3-carbaldehyde
PubChem CID141053587
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name2-fluoro-1-methylindole-3-carbaldehyde
SMILESCn1c(F)c(C=O)c2ccccc21
InChIInChI=1S/C10H8FNO/c1-12-9-5-3-2-4-7(9)8(6-13)10(12)11/h2-6H,1H3
InChIKeyXZBYMJHWOSINRD-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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Related Compounds

2-deuteriocarbonyl-1-methylindole-3-carbaldehyde
CID 12584870
2-azido-1-methylindole-3-carbaldehyde
CID 14245995
2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane
CID 91058510
1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde
CID 134938903
1-methyl-2-(4-methylphenoxy)indole-3-carbaldehyde
CID 2763797
3-hydroxy-9-methylcarbazole-4-carbaldehyde
CID 155346845
2-[hydroxy-(4-methylphenyl)methyl]-1-methylindole-3-carbaldehyde
CID 10492940
2-hexanoyl-1-methylindole-3-carbaldehyde
CID 10611168
9-methylcarbazole-2-carbaldehyde
CID 3152662
ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole
CID 144820845
ethane;bis(9-methylcarbazole)
CID 159710949
1-butyl-2-phenylindole-3-carbaldehyde;1-methyl-2-phenylindole-3-carbaldehyde
CID 174681099

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methylindole-3-carbaldehyde?
The IUPAC name of 2-fluoro-1-methylindole-3-carbaldehyde (CID 141053587) is 2-fluoro-1-methylindole-3-carbaldehyde.
What is the SMILES notation for 2-fluoro-1-methylindole-3-carbaldehyde?
The canonical SMILES for 2-fluoro-1-methylindole-3-carbaldehyde is Cn1c(F)c(C=O)c2ccccc21.
What is the InChIKey of 2-fluoro-1-methylindole-3-carbaldehyde?
The InChIKey is XZBYMJHWOSINRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-12-9-5-3-2-4-7(9)8(6-13)10(12)11/h2-6H,1H3.
What are the key properties of 2-fluoro-1-methylindole-3-carbaldehyde?
2-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 2-fluoro-1-methylindole-3-carbaldehyde is sourced from PubChem (CID 141053587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).