5-chloro-6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde

C14H18ClFN2O2Si — CID 169003725

IUPAC5-chloro-6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde
SMILESC[Si](C)(C)CCOCn1c(C=O)cc2nc(Cl)c(F)cc21
InChIInChI=1S/C14H18ClFN2O2Si/c1-21(2,3)5-4-20-9-18-10(8-19)6-12-13(18)7-11(16)14(15)17-12/h6-8H,4-5,9H2,1-3H3
InChIKeyBPZPGTGCKWQMIG-UHFFFAOYSA-N
MW328.85 g/mol
LogP3.95
Rot. Bonds6

About 5-chloro-6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde

5-chloro-6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde (PubChem CID 169003725) has the molecular formula C14H18ClFN2O2Si and a molecular weight of 328.85 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde
PubChem CID169003725
Molecular FormulaC14H18ClFN2O2Si
Molecular Weight328.85 g/mol
Exact Mass328.08
IUPAC Name5-chloro-6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde
SMILESC[Si](C)(C)CCOCn1c(C=O)cc2nc(Cl)c(F)cc21
InChIInChI=1S/C14H18ClFN2O2Si/c1-21(2,3)5-4-20-9-18-10(8-19)6-12-13(18)7-11(16)14(15)17-12/h6-8H,4-5,9H2,1-3H3
InChIKeyBPZPGTGCKWQMIG-UHFFFAOYSA-N
XLogP3.95
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde?
The IUPAC name of 5-chloro-6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde (CID 169003725) is 5-chloro-6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-chloro-6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde?
The canonical SMILES for 5-chloro-6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde is C[Si](C)(C)CCOCn1c(C=O)cc2nc(Cl)c(F)cc21.
What is the InChIKey of 5-chloro-6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde?
The InChIKey is BPZPGTGCKWQMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2Si/c1-21(2,3)5-4-20-9-18-10(8-19)6-12-13(18)7-11(16)14(15)17-12/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 5-chloro-6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde?
5-chloro-6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde has a molecular weight of 328.85 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 169003725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).