1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-chloropyrrolo[3,2-b]pyridine-7-carbaldehyde

C17H25ClN2O2Si — CID 169206265

IUPAC1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-chloropyrrolo[3,2-b]pyridine-7-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCCCn1ccc2nc(Cl)cc(C=O)c21
InChIInChI=1S/C17H25ClN2O2Si/c1-17(2,3)23(4,5)22-10-6-8-20-9-7-14-16(20)13(12-21)11-15(18)19-14/h7,9,11-12H,6,8,10H2,1-5H3
InChIKeyFSHPBRVTFOVBSX-UHFFFAOYSA-N
MW352.94 g/mol
LogP4.91
Rot. Bonds6

About 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-chloropyrrolo[3,2-b]pyridine-7-carbaldehyde

1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-chloropyrrolo[3,2-b]pyridine-7-carbaldehyde (PubChem CID 169206265) has the molecular formula C17H25ClN2O2Si and a molecular weight of 352.94 g/mol. Its IUPAC name is 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-chloropyrrolo[3,2-b]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-chloropyrrolo[3,2-b]pyridine-7-carbaldehyde
PubChem CID169206265
Molecular FormulaC17H25ClN2O2Si
Molecular Weight352.94 g/mol
Exact Mass352.14
IUPAC Name1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-chloropyrrolo[3,2-b]pyridine-7-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCCCn1ccc2nc(Cl)cc(C=O)c21
InChIInChI=1S/C17H25ClN2O2Si/c1-17(2,3)23(4,5)22-10-6-8-20-9-7-14-16(20)13(12-21)11-15(18)19-14/h7,9,11-12H,6,8,10H2,1-5H3
InChIKeyFSHPBRVTFOVBSX-UHFFFAOYSA-N
XLogP4.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.94
LogP ≤ 54.91
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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Related Compounds

[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-5-yl]bismuthane
CID 151937116
4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane
CID 151910538
2,4-dichloro-5-(3-methoxypropyl)pyrrolo[3,2-d]pyrimidine
CID 134607182
2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde
CID 175203615
5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde
CID 131735364
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl]bismuthane
CID 150452773
tert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane
CID 25232171
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-1-methylindole-5-carbaldehyde
CID 89421812
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde
CID 13305849
tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane
CID 69073629
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde
CID 15072145
2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde
CID 171089629

Frequently Asked Questions

What is the IUPAC name of 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-chloropyrrolo[3,2-b]pyridine-7-carbaldehyde?
The IUPAC name of 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-chloropyrrolo[3,2-b]pyridine-7-carbaldehyde (CID 169206265) is 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-chloropyrrolo[3,2-b]pyridine-7-carbaldehyde.
What is the SMILES notation for 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-chloropyrrolo[3,2-b]pyridine-7-carbaldehyde?
The canonical SMILES for 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-chloropyrrolo[3,2-b]pyridine-7-carbaldehyde is CC(C)(C)[Si](C)(C)OCCCn1ccc2nc(Cl)cc(C=O)c21.
What is the InChIKey of 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-chloropyrrolo[3,2-b]pyridine-7-carbaldehyde?
The InChIKey is FSHPBRVTFOVBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2Si/c1-17(2,3)23(4,5)22-10-6-8-20-9-7-14-16(20)13(12-21)11-15(18)19-14/h7,9,11-12H,6,8,10H2,1-5H3.
What are the key properties of 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-chloropyrrolo[3,2-b]pyridine-7-carbaldehyde?
1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-chloropyrrolo[3,2-b]pyridine-7-carbaldehyde has a molecular weight of 352.94 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-chloropyrrolo[3,2-b]pyridine-7-carbaldehyde is sourced from PubChem (CID 169206265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).