6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde

C10H7ClFNO2 — CID 135333306

IUPAC6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde
SMILESCOc1cc(Cl)c(F)c2[nH]c(C=O)cc12
InChIInChI=1S/C10H7ClFNO2/c1-15-8-3-7(11)9(12)10-6(8)2-5(4-14)13-10/h2-4,13H,1H3
InChIKeyGPPHCLJISMFTFI-UHFFFAOYSA-N
MW227.62 g/mol
LogP2.78
Rot. Bonds2

About 6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde

6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde (PubChem CID 135333306) has the molecular formula C10H7ClFNO2 and a molecular weight of 227.62 g/mol. Its IUPAC name is 6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde
PubChem CID135333306
Molecular FormulaC10H7ClFNO2
Molecular Weight227.62 g/mol
Exact Mass227.01
IUPAC Name6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde
SMILESCOc1cc(Cl)c(F)c2[nH]c(C=O)cc12
InChIInChI=1S/C10H7ClFNO2/c1-15-8-3-7(11)9(12)10-6(8)2-5(4-14)13-10/h2-4,13H,1H3
InChIKeyGPPHCLJISMFTFI-UHFFFAOYSA-N
XLogP2.78
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde?
The IUPAC name of 6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde (CID 135333306) is 6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde.
What is the SMILES notation for 6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde?
The canonical SMILES for 6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde is COc1cc(Cl)c(F)c2[nH]c(C=O)cc12.
What is the InChIKey of 6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde?
The InChIKey is GPPHCLJISMFTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2/c1-15-8-3-7(11)9(12)10-6(8)2-5(4-14)13-10/h2-4,13H,1H3.
What are the key properties of 6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde?
6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde has a molecular weight of 227.62 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde is sourced from PubChem (CID 135333306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).