2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol

C14H14BrNO2 — CID 114053743

IUPAC2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol
SMILESCOc1cccnc1C(O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO2/c1-18-13-3-2-8-16-14(13)12(17)9-10-4-6-11(15)7-5-10/h2-8,12,17H,9H2,1H3
InChIKeyMXKMNOSYJRBWLQ-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.13
Rot. Bonds4

About 2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol

2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol (PubChem CID 114053743) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol
PubChem CID114053743
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol
SMILESCOc1cccnc1C(O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO2/c1-18-13-3-2-8-16-14(13)12(17)9-10-4-6-11(15)7-5-10/h2-8,12,17H,9H2,1H3
InChIKeyMXKMNOSYJRBWLQ-UHFFFAOYSA-N
XLogP3.13
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanol
CID 114053745
1-(3-methoxy-2-pyridinyl)-2-phenylethanol
CID 114053626
3-(4-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
CID 104572566
1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol
CID 114053750
(4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114053803
2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 82729946
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
N-[(4-bromophenyl)methyl]-3-methoxypyridin-2-amine
CID 112547909
2-(diethoxymethyl)-3-methoxypyridine
CID 121221666
(2R)-2-amino-2-(3-methoxy-2-pyridinyl)ethanol
CID 96850177
2-(dichloromethyl)-3-methoxypyridine
CID 141354456
1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol
CID 114053795

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol?
The IUPAC name of 2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol (CID 114053743) is 2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol is COc1cccnc1C(O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol?
The InChIKey is MXKMNOSYJRBWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-18-13-3-2-8-16-14(13)12(17)9-10-4-6-11(15)7-5-10/h2-8,12,17H,9H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol?
2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol has a molecular weight of 308.18 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol is sourced from PubChem (CID 114053743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).