1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol

C14H13BrFNO — CID 114561348

IUPAC1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
SMILESCc1cccnc1CC(O)c1c(F)cccc1Br
InChIInChI=1S/C14H13BrFNO/c1-9-4-3-7-17-12(9)8-13(18)14-10(15)5-2-6-11(14)16/h2-7,13,18H,8H2,1H3
InChIKeyWHBJPTOVKZPELN-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.57
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol

1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol (PubChem CID 114561348) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
PubChem CID114561348
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
SMILESCc1cccnc1CC(O)c1c(F)cccc1Br
InChIInChI=1S/C14H13BrFNO/c1-9-4-3-7-17-12(9)8-13(18)14-10(15)5-2-6-11(14)16/h2-7,13,18H,8H2,1H3
InChIKeyWHBJPTOVKZPELN-UHFFFAOYSA-N
XLogP3.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114020683
1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 81461099
1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 114885678
1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461704
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine
CID 82819201
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885692
2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885790
1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461101
1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol
CID 114931671
2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine
CID 66459993
1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 115354635

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol (CID 114561348) is 1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol is Cc1cccnc1CC(O)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
The InChIKey is WHBJPTOVKZPELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9-4-3-7-17-12(9)8-13(18)14-10(15)5-2-6-11(14)16/h2-7,13,18H,8H2,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol has a molecular weight of 310.17 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 114561348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).