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

C10H8FNO2 — CID 82402316

IUPAC5-fluoro-3-methoxy-1H-indole-2-carbaldehyde
SMILESCOc1c(C=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C10H8FNO2/c1-14-10-7-4-6(11)2-3-8(7)12-9(10)5-13/h2-5,12H,1H3
InChIKeyGSNVLQVQRWZGJN-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.13
Rot. Bonds2

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

5-fluoro-3-methoxy-1H-indole-2-carbaldehyde (PubChem CID 82402316) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 5-fluoro-3-methoxy-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-3-methoxy-1H-indole-2-carbaldehyde
PubChem CID82402316
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name5-fluoro-3-methoxy-1H-indole-2-carbaldehyde
SMILESCOc1c(C=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C10H8FNO2/c1-14-10-7-4-6(11)2-3-8(7)12-9(10)5-13/h2-5,12H,1H3
InChIKeyGSNVLQVQRWZGJN-UHFFFAOYSA-N
XLogP2.13
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-methoxy-1H-indole-2-carbaldehyde
CID 82394983
methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate
CID 146173958
3-fluoro-6-methoxy-9H-carbazole
CID 171714917
2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole
CID 70812593
6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde
CID 83753028
6-fluoro-4-methoxy-1H-quinazolin-2-one
CID 84773047
3-bromo-6-fluoro-1H-indole-2-carbaldehyde
CID 115044531
methyl 3,5-difluoro-1H-indole-2-carboxylate
CID 139034030
7-fluoro-9H-carbazole-3-carbaldehyde
CID 90202443
5-tert-butyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 5143161
methyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate
CID 68616120
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methoxy-1H-indole-2-carbaldehyde?
The IUPAC name of 5-fluoro-3-methoxy-1H-indole-2-carbaldehyde (CID 82402316) is 5-fluoro-3-methoxy-1H-indole-2-carbaldehyde.
What is the SMILES notation for 5-fluoro-3-methoxy-1H-indole-2-carbaldehyde?
The canonical SMILES for 5-fluoro-3-methoxy-1H-indole-2-carbaldehyde is COc1c(C=O)[nH]c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methoxy-1H-indole-2-carbaldehyde?
The InChIKey is GSNVLQVQRWZGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-14-10-7-4-6(11)2-3-8(7)12-9(10)5-13/h2-5,12H,1H3.
What are the key properties of 5-fluoro-3-methoxy-1H-indole-2-carbaldehyde?
5-fluoro-3-methoxy-1H-indole-2-carbaldehyde has a molecular weight of 193.18 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methoxy-1H-indole-2-carbaldehyde is sourced from PubChem (CID 82402316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).