1-fluoro-5-methoxyindole-3-carbaldehyde

C10H8FNO2 — CID 54415390

IUPAC1-fluoro-5-methoxyindole-3-carbaldehyde
SMILESCOc1ccc2c(c1)c(C=O)cn2F
InChIInChI=1S/C10H8FNO2/c1-14-8-2-3-10-9(4-8)7(6-13)5-12(10)11/h2-6H,1H3
InChIKeyVXBBOUPAGBDEHR-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.19
Rot. Bonds2

About 1-fluoro-5-methoxyindole-3-carbaldehyde

1-fluoro-5-methoxyindole-3-carbaldehyde (PubChem CID 54415390) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 1-fluoro-5-methoxyindole-3-carbaldehyde.

Molecular Properties

Compound Name1-fluoro-5-methoxyindole-3-carbaldehyde
PubChem CID54415390
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name1-fluoro-5-methoxyindole-3-carbaldehyde
SMILESCOc1ccc2c(c1)c(C=O)cn2F
InChIInChI=1S/C10H8FNO2/c1-14-8-2-3-10-9(4-8)7(6-13)5-12(10)11/h2-6H,1H3
InChIKeyVXBBOUPAGBDEHR-UHFFFAOYSA-N
XLogP2.19
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-5-methoxyindole-3-carbaldehyde
CID 11206300
1-ethyl-5-methoxyindole-3-carbaldehyde
CID 3162229
5-methoxy-1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
CID 14403889
5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde
CID 71670304
6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde
CID 141464853
5-methoxy-1-benzofuran-3-carbaldehyde
CID 25131833
2-(fluoromethyl)-4-methoxybenzaldehyde
CID 141044211
5-methoxy-2-pyrrol-1-ylbenzaldehyde
CID 121010613
2-formyl-4-methoxybenzenesulfonamide
CID 102084002
(5-methoxy-1-methylindol-3-yl)boronic acid
CID 58933386
4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde
CID 172909455
5-(3,5-dimethoxy-N-methylanilino)sulfanyl-1-methylindole-3-carbaldehyde
CID 177336895

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methoxyindole-3-carbaldehyde?
The IUPAC name of 1-fluoro-5-methoxyindole-3-carbaldehyde (CID 54415390) is 1-fluoro-5-methoxyindole-3-carbaldehyde.
What is the SMILES notation for 1-fluoro-5-methoxyindole-3-carbaldehyde?
The canonical SMILES for 1-fluoro-5-methoxyindole-3-carbaldehyde is COc1ccc2c(c1)c(C=O)cn2F.
What is the InChIKey of 1-fluoro-5-methoxyindole-3-carbaldehyde?
The InChIKey is VXBBOUPAGBDEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-14-8-2-3-10-9(4-8)7(6-13)5-12(10)11/h2-6H,1H3.
What are the key properties of 1-fluoro-5-methoxyindole-3-carbaldehyde?
1-fluoro-5-methoxyindole-3-carbaldehyde has a molecular weight of 193.18 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methoxyindole-3-carbaldehyde is sourced from PubChem (CID 54415390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).