2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanol

C14H12BrClFNO2 — CID 90061819

IUPAC2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanol
SMILESCOc1ccc(C(O)CBr)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12BrClFNO2/c1-20-13-5-4-11(12(19)7-15)18-14(13)8-2-3-10(17)9(16)6-8/h2-6,12,19H,7H2,1H3
InChIKeyQGBKMXNJONHXTK-UHFFFAOYSA-N
MW360.61 g/mol
LogP3.98
Rot. Bonds4

About 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanol

2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanol (PubChem CID 90061819) has the molecular formula C14H12BrClFNO2 and a molecular weight of 360.61 g/mol. Its IUPAC name is 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanol
PubChem CID90061819
Molecular FormulaC14H12BrClFNO2
Molecular Weight360.61 g/mol
Exact Mass358.97
IUPAC Name2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanol
SMILESCOc1ccc(C(O)CBr)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12BrClFNO2/c1-20-13-5-4-11(12(19)7-15)18-14(13)8-2-3-10(17)9(16)6-8/h2-6,12,19H,7H2,1H3
InChIKeyQGBKMXNJONHXTK-UHFFFAOYSA-N
XLogP3.98
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.61
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone
CID 90061824
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoropropyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide
CID 123829576
2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-fluoro-3-(methylamino)propan-2-ol
CID 123907216
2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-methylpropan-1-amine
CID 163689738
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-hydroxypropyl]-4-(2,2-difluorocyclopropyl)oxy-3-methoxybenzamide
CID 134323449
(1S)-2-bromo-1-(3-chloro-4-fluorophenyl)ethanol
CID 83001730
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
ethyl 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-isocyanopropanoate
CID 123510794
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one
CID 159246010
1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione
CID 146835922
N-[(2S)-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-hydroxy-1-oxopropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90062239

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanol?
The IUPAC name of 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanol (CID 90061819) is 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanol.
What is the SMILES notation for 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanol?
The canonical SMILES for 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanol is COc1ccc(C(O)CBr)nc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanol?
The InChIKey is QGBKMXNJONHXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO2/c1-20-13-5-4-11(12(19)7-15)18-14(13)8-2-3-10(17)9(16)6-8/h2-6,12,19H,7H2,1H3.
What are the key properties of 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanol?
2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanol has a molecular weight of 360.61 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanol is sourced from PubChem (CID 90061819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).