2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol

C14H13BrFNO2 — CID 105088376

IUPAC2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol
SMILESCOc1ncccc1C(O)Cc1cc(F)ccc1Br
InChIInChI=1S/C14H13BrFNO2/c1-19-14-11(3-2-6-17-14)13(18)8-9-7-10(16)4-5-12(9)15/h2-7,13,18H,8H2,1H3
InChIKeyPJBFNVOHFWMPPD-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.27
Rot. Bonds4

About 2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol

2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol (PubChem CID 105088376) has the molecular formula C14H13BrFNO2 and a molecular weight of 326.17 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol
PubChem CID105088376
Molecular FormulaC14H13BrFNO2
Molecular Weight326.17 g/mol
Exact Mass325.01
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol
SMILESCOc1ncccc1C(O)Cc1cc(F)ccc1Br
InChIInChI=1S/C14H13BrFNO2/c1-19-14-11(3-2-6-17-14)13(18)8-9-7-10(16)4-5-12(9)15/h2-7,13,18H,8H2,1H3
InChIKeyPJBFNVOHFWMPPD-UHFFFAOYSA-N
XLogP3.27
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105117230
1-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-yl)ethanol
CID 105115288
2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol
CID 105088408
2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 65146117
1-(2-amino-5-bromophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 82703485
2-(2,6-dichlorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol
CID 105084678
2-(4-fluoro-2-methylphenyl)-1-(2-methoxyphenyl)ethanol
CID 114346762
2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol
CID 104504568
1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol
CID 62608798
1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol
CID 105124708
1-(5-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 115787558
1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 105107858

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol (CID 105088376) is 2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol is COc1ncccc1C(O)Cc1cc(F)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol?
The InChIKey is PJBFNVOHFWMPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2/c1-19-14-11(3-2-6-17-14)13(18)8-9-7-10(16)4-5-12(9)15/h2-7,13,18H,8H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol?
2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol has a molecular weight of 326.17 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol is sourced from PubChem (CID 105088376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).