2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)ethanol

C13H18BrNO3 — CID 116754077

IUPAC2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)ethanol
SMILESCOC1(C(O)Cc2cncc(Br)c2)CCOCC1
InChIInChI=1S/C13H18BrNO3/c1-17-13(2-4-18-5-3-13)12(16)7-10-6-11(14)9-15-8-10/h6,8-9,12,16H,2-5,7H2,1H3
InChIKeyYLANZFRNWVTJKR-UHFFFAOYSA-N
MW316.19 g/mol
LogP1.94
Rot. Bonds4

About 2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)ethanol

2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)ethanol (PubChem CID 116754077) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)ethanol
PubChem CID116754077
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)ethanol
SMILESCOC1(C(O)Cc2cncc(Br)c2)CCOCC1
InChIInChI=1S/C13H18BrNO3/c1-17-13(2-4-18-5-3-13)12(16)7-10-6-11(14)9-15-8-10/h6,8-9,12,16H,2-5,7H2,1H3
InChIKeyYLANZFRNWVTJKR-UHFFFAOYSA-N
XLogP1.94
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)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-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753226
2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105126484
3-(5-bromo-3-pyridinyl)-1,1-dimethoxypropan-2-ol
CID 104800369
2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753460
2-(5-chloro-2-methoxyphenyl)-1-(4-methoxyoxan-4-yl)ethanol
CID 116754035
1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol
CID 104800320
2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754566
2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764666
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol
CID 104610489
4-[(5-bromo-3-pyridinyl)methyl]oxepan-4-amine
CID 104802931
2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764652
2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol
CID 104800252

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)ethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)ethanol (CID 116754077) is 2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)ethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)ethanol is COC1(C(O)Cc2cncc(Br)c2)CCOCC1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)ethanol?
The InChIKey is YLANZFRNWVTJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-17-13(2-4-18-5-3-13)12(16)7-10-6-11(14)9-15-8-10/h6,8-9,12,16H,2-5,7H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)ethanol?
2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)ethanol has a molecular weight of 316.19 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(4-methoxyoxan-4-yl)ethanol is sourced from PubChem (CID 116754077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).