(5-bromo-3-pyridinyl)-[4-(2-tert-butylsilyloxypropan-2-yl)phenyl]methanone

C19H24BrNO2Si — CID 137329421

IUPAC(5-bromo-3-pyridinyl)-[4-(2-tert-butylsilyloxypropan-2-yl)phenyl]methanone
SMILESCC(C)(C)[SiH2]OC(C)(C)c1ccc(C(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C19H24BrNO2Si/c1-18(2,3)24-23-19(4,5)15-8-6-13(7-9-15)17(22)14-10-16(20)12-21-11-14/h6-12H,24H2,1-5H3
InChIKeyQUWWOJQSODRUMN-UHFFFAOYSA-N
MW406.40 g/mol
LogP4.63
Rot. Bonds5

About (5-bromo-3-pyridinyl)-[4-(2-tert-butylsilyloxypropan-2-yl)phenyl]methanone

(5-bromo-3-pyridinyl)-[4-(2-tert-butylsilyloxypropan-2-yl)phenyl]methanone (PubChem CID 137329421) has the molecular formula C19H24BrNO2Si and a molecular weight of 406.40 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-[4-(2-tert-butylsilyloxypropan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-[4-(2-tert-butylsilyloxypropan-2-yl)phenyl]methanone
PubChem CID137329421
Molecular FormulaC19H24BrNO2Si
Molecular Weight406.40 g/mol
Exact Mass405.08
IUPAC Name(5-bromo-3-pyridinyl)-[4-(2-tert-butylsilyloxypropan-2-yl)phenyl]methanone
SMILESCC(C)(C)[SiH2]OC(C)(C)c1ccc(C(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C19H24BrNO2Si/c1-18(2,3)24-23-19(4,5)15-8-6-13(7-9-15)17(22)14-10-16(20)12-21-11-14/h6-12H,24H2,1-5H3
InChIKeyQUWWOJQSODRUMN-UHFFFAOYSA-N
XLogP4.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(5-bromo-3-pyridinyl)methanone
CID 150630113
(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone
CID 43167215
(5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone
CID 43338411
1-(5-bromo-3-pyridinyl)ethanone
CID 820423
ethyl 3-(5-bromo-3-pyridinyl)-3-oxopropanoate
CID 2763056
(5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43161073
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239
5-bromo-N-methoxypyridine-3-carboxamide
CID 51279281
5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
CID 61381313
[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
CID 102584961
5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide
CID 99873716
3-[(5-bromopyridine-3-carbonyl)-tert-butylamino]propanoic acid
CID 60826040

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-[4-(2-tert-butylsilyloxypropan-2-yl)phenyl]methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-[4-(2-tert-butylsilyloxypropan-2-yl)phenyl]methanone (CID 137329421) is (5-bromo-3-pyridinyl)-[4-(2-tert-butylsilyloxypropan-2-yl)phenyl]methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-[4-(2-tert-butylsilyloxypropan-2-yl)phenyl]methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-[4-(2-tert-butylsilyloxypropan-2-yl)phenyl]methanone is CC(C)(C)[SiH2]OC(C)(C)c1ccc(C(=O)c2cncc(Br)c2)cc1.
What is the InChIKey of (5-bromo-3-pyridinyl)-[4-(2-tert-butylsilyloxypropan-2-yl)phenyl]methanone?
The InChIKey is QUWWOJQSODRUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO2Si/c1-18(2,3)24-23-19(4,5)15-8-6-13(7-9-15)17(22)14-10-16(20)12-21-11-14/h6-12H,24H2,1-5H3.
What are the key properties of (5-bromo-3-pyridinyl)-[4-(2-tert-butylsilyloxypropan-2-yl)phenyl]methanone?
(5-bromo-3-pyridinyl)-[4-(2-tert-butylsilyloxypropan-2-yl)phenyl]methanone has a molecular weight of 406.40 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-[4-(2-tert-butylsilyloxypropan-2-yl)phenyl]methanone is sourced from PubChem (CID 137329421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).