2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-1-[5-tri(propan-2-yl)silyloxy-2-pyridinyl]ethanol

C26H38BrNO3Si — CID 67777123

IUPAC2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-1-[5-tri(propan-2-yl)silyloxy-2-pyridinyl]ethanol
SMILESCC(C)[Si](Oc1ccc(C(O)Cc2ccc(OCC3CC3)cc2Br)nc1)(C(C)C)C(C)C
InChIInChI=1S/C26H38BrNO3Si/c1-17(2)32(18(3)4,19(5)6)31-23-11-12-25(28-15-23)26(29)13-21-9-10-22(14-24(21)27)30-16-20-7-8-20/h9-12,14-15,17-20,26,29H,7-8,13,16H2,1-6H3
InChIKeyUZYFQGAOVJSCJG-UHFFFAOYSA-N
MW520.58 g/mol
LogP7.46
Rot. Bonds11

About 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-1-[5-tri(propan-2-yl)silyloxy-2-pyridinyl]ethanol

2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-1-[5-tri(propan-2-yl)silyloxy-2-pyridinyl]ethanol (PubChem CID 67777123) has the molecular formula C26H38BrNO3Si and a molecular weight of 520.58 g/mol. Its IUPAC name is 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-1-[5-tri(propan-2-yl)silyloxy-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-1-[5-tri(propan-2-yl)silyloxy-2-pyridinyl]ethanol
PubChem CID67777123
Molecular FormulaC26H38BrNO3Si
Molecular Weight520.58 g/mol
Exact Mass519.18
IUPAC Name2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-1-[5-tri(propan-2-yl)silyloxy-2-pyridinyl]ethanol
SMILESCC(C)[Si](Oc1ccc(C(O)Cc2ccc(OCC3CC3)cc2Br)nc1)(C(C)C)C(C)C
InChIInChI=1S/C26H38BrNO3Si/c1-17(2)32(18(3)4,19(5)6)31-23-11-12-25(28-15-23)26(29)13-21-9-10-22(14-24(21)27)30-16-20-7-8-20/h9-12,14-15,17-20,26,29H,7-8,13,16H2,1-6H3
InChIKeyUZYFQGAOVJSCJG-UHFFFAOYSA-N
XLogP7.46
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.58
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-1-[5-tri(propan-2-yl)silyloxy-2-pyridinyl]ethanol 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

2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol
CID 151817566
[2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine
CID 107275264
1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene
CID 68763979
2-bromo-4-(cyclopropylmethoxy)aniline
CID 97179592
[4-[6-(cyclopropylmethoxy)-3-iodoindazol-2-yl]phenoxy]-tri(propan-2-yl)silane
CID 67778921
2-(2-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105087921
1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine
CID 83123383
6-(cyclopropylmethoxy)-2-[4-tri(propan-2-yl)silyloxyphenyl]indazole-3-carbonitrile
CID 67777901
2-bromo-5-(cyclopropylmethoxy)-3-methoxypyridine
CID 90315250
1-[5-(cyclopentylmethoxy)-2-pyridinyl]propan-1-amine
CID 112584937
2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 107278940
1-[4-bromo-3-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 117459052

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-1-[5-tri(propan-2-yl)silyloxy-2-pyridinyl]ethanol?
The IUPAC name of 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-1-[5-tri(propan-2-yl)silyloxy-2-pyridinyl]ethanol (CID 67777123) is 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-1-[5-tri(propan-2-yl)silyloxy-2-pyridinyl]ethanol.
What is the SMILES notation for 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-1-[5-tri(propan-2-yl)silyloxy-2-pyridinyl]ethanol?
The canonical SMILES for 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-1-[5-tri(propan-2-yl)silyloxy-2-pyridinyl]ethanol is CC(C)[Si](Oc1ccc(C(O)Cc2ccc(OCC3CC3)cc2Br)nc1)(C(C)C)C(C)C.
What is the InChIKey of 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-1-[5-tri(propan-2-yl)silyloxy-2-pyridinyl]ethanol?
The InChIKey is UZYFQGAOVJSCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38BrNO3Si/c1-17(2)32(18(3)4,19(5)6)31-23-11-12-25(28-15-23)26(29)13-21-9-10-22(14-24(21)27)30-16-20-7-8-20/h9-12,14-15,17-20,26,29H,7-8,13,16H2,1-6H3.
What are the key properties of 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-1-[5-tri(propan-2-yl)silyloxy-2-pyridinyl]ethanol?
2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-1-[5-tri(propan-2-yl)silyloxy-2-pyridinyl]ethanol has a molecular weight of 520.58 g/mol, XLogP of 7.46, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-1-[5-tri(propan-2-yl)silyloxy-2-pyridinyl]ethanol is sourced from PubChem (CID 67777123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).