[1-(5-bromo-3-chloro-2-pyridinyl)cyclopropyl]oxy-tert-butyl-dimethylsilane

C14H21BrClNOSi — CID 156803230

IUPAC[1-(5-bromo-3-chloro-2-pyridinyl)cyclopropyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1(c2ncc(Br)cc2Cl)CC1
InChIInChI=1S/C14H21BrClNOSi/c1-13(2,3)19(4,5)18-14(6-7-14)12-11(16)8-10(15)9-17-12/h8-9H,6-7H2,1-5H3
InChIKeySQCSULGJCRWPPT-UHFFFAOYSA-N
MW362.77 g/mol
LogP5.51
Rot. Bonds3

About [1-(5-bromo-3-chloro-2-pyridinyl)cyclopropyl]oxy-tert-butyl-dimethylsilane

[1-(5-bromo-3-chloro-2-pyridinyl)cyclopropyl]oxy-tert-butyl-dimethylsilane (PubChem CID 156803230) has the molecular formula C14H21BrClNOSi and a molecular weight of 362.77 g/mol. Its IUPAC name is [1-(5-bromo-3-chloro-2-pyridinyl)cyclopropyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-(5-bromo-3-chloro-2-pyridinyl)cyclopropyl]oxy-tert-butyl-dimethylsilane
PubChem CID156803230
Molecular FormulaC14H21BrClNOSi
Molecular Weight362.77 g/mol
Exact Mass361.03
IUPAC Name[1-(5-bromo-3-chloro-2-pyridinyl)cyclopropyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1(c2ncc(Br)cc2Cl)CC1
InChIInChI=1S/C14H21BrClNOSi/c1-13(2,3)19(4,5)18-14(6-7-14)12-11(16)8-10(15)9-17-12/h8-9H,6-7H2,1-5H3
InChIKeySQCSULGJCRWPPT-UHFFFAOYSA-N
XLogP5.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.77
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]-5-chloropyridin-3-amine
CID 156802916
1-(5-bromo-3-chloro-2-pyridinyl)cyclopentan-1-amine
CID 130545363
[1-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-tert-butyl-dimethylsilane
CID 140746347
3-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclobutan-1-ol
CID 140746327
5-bromo-3-chloro-2-[(1-methylcyclopropyl)methoxy]pyridine
CID 118193954
tert-butyl-[1-[3-chloro-4-(2-ethoxyethenyl)-2-pyridinyl]cyclopropyl]oxy-dimethylsilane
CID 174049180
2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone
CID 168866421
1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine
CID 126561655
5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
CID 103580341
(2-bromo-6-chloro-4-fluorophenoxy)-tert-butyl-dimethylsilane
CID 167721480
5-bromo-3-chloro-2-ethoxypyridine
CID 71303680
5-bromo-3-ethyl-2-(2-methoxyoxiran-2-yl)pyridine
CID 123450530

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-chloro-2-pyridinyl)cyclopropyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [1-(5-bromo-3-chloro-2-pyridinyl)cyclopropyl]oxy-tert-butyl-dimethylsilane (CID 156803230) is [1-(5-bromo-3-chloro-2-pyridinyl)cyclopropyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-(5-bromo-3-chloro-2-pyridinyl)cyclopropyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [1-(5-bromo-3-chloro-2-pyridinyl)cyclopropyl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1(c2ncc(Br)cc2Cl)CC1.
What is the InChIKey of [1-(5-bromo-3-chloro-2-pyridinyl)cyclopropyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is SQCSULGJCRWPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClNOSi/c1-13(2,3)19(4,5)18-14(6-7-14)12-11(16)8-10(15)9-17-12/h8-9H,6-7H2,1-5H3.
What are the key properties of [1-(5-bromo-3-chloro-2-pyridinyl)cyclopropyl]oxy-tert-butyl-dimethylsilane?
[1-(5-bromo-3-chloro-2-pyridinyl)cyclopropyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 362.77 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-chloro-2-pyridinyl)cyclopropyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 156803230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).