5-bromo-N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-iodopyridin-3-amine

C18H24BrIN2OSi — CID 177316540

IUPAC5-bromo-N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-iodopyridin-3-amine
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(Nc2cc(Br)cnc2I)cc1
InChIInChI=1S/C18H24BrIN2OSi/c1-18(2,3)24(4,5)23-12-13-6-8-15(9-7-13)22-16-10-14(19)11-21-17(16)20/h6-11,22H,12H2,1-5H3
InChIKeyPGUTYYDHEXSZJF-UHFFFAOYSA-N
MW519.30 g/mol
LogP6.71
Rot. Bonds5

About 5-bromo-N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-iodopyridin-3-amine

5-bromo-N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-iodopyridin-3-amine (PubChem CID 177316540) has the molecular formula C18H24BrIN2OSi and a molecular weight of 519.30 g/mol. Its IUPAC name is 5-bromo-N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-iodopyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-iodopyridin-3-amine
PubChem CID177316540
Molecular FormulaC18H24BrIN2OSi
Molecular Weight519.30 g/mol
Exact Mass517.99
IUPAC Name5-bromo-N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-iodopyridin-3-amine
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(Nc2cc(Br)cnc2I)cc1
InChIInChI=1S/C18H24BrIN2OSi/c1-18(2,3)24(4,5)23-12-13-6-8-15(9-7-13)22-16-10-14(19)11-21-17(16)20/h6-11,22H,12H2,1-5H3
InChIKeyPGUTYYDHEXSZJF-UHFFFAOYSA-N
XLogP6.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.30
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-iodopyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
(2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane
CID 58538627
tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane
CID 66845200
(2-bromo-6-methyl-4-pyridinyl)methoxy-tert-butyl-dimethylsilane
CID 142618982
tert-butyl-dimethyl-[(4-pyridazin-4-ylphenyl)methoxy]silane
CID 18182550
tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane
CID 24796696
2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde
CID 171089629
5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine
CID 71429023

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-iodopyridin-3-amine?
The IUPAC name of 5-bromo-N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-iodopyridin-3-amine (CID 177316540) is 5-bromo-N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-iodopyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-iodopyridin-3-amine?
The canonical SMILES for 5-bromo-N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-iodopyridin-3-amine is CC(C)(C)[Si](C)(C)OCc1ccc(Nc2cc(Br)cnc2I)cc1.
What is the InChIKey of 5-bromo-N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-iodopyridin-3-amine?
The InChIKey is PGUTYYDHEXSZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrIN2OSi/c1-18(2,3)24(4,5)23-12-13-6-8-15(9-7-13)22-16-10-14(19)11-21-17(16)20/h6-11,22H,12H2,1-5H3.
What are the key properties of 5-bromo-N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-iodopyridin-3-amine?
5-bromo-N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-iodopyridin-3-amine has a molecular weight of 519.30 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-iodopyridin-3-amine is sourced from PubChem (CID 177316540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).