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

C14H13BrFNO — CID 114020683

IUPAC1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
SMILESCc1cccnc1CC(O)c1cccc(Br)c1F
InChIInChI=1S/C14H13BrFNO/c1-9-4-3-7-17-12(9)8-13(18)10-5-2-6-11(15)14(10)16/h2-7,13,18H,8H2,1H3
InChIKeyXPMNTFNHBGLMFS-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.57
Rot. Bonds3

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

1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol (PubChem CID 114020683) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
PubChem CID114020683
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
SMILESCc1cccnc1CC(O)c1cccc(Br)c1F
InChIInChI=1S/C14H13BrFNO/c1-9-4-3-7-17-12(9)8-13(18)10-5-2-6-11(15)14(10)16/h2-7,13,18H,8H2,1H3
InChIKeyXPMNTFNHBGLMFS-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-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114561348
1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 81461099
1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol
CID 106645019
1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461704
2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine
CID 66459993
1-(3-bromo-2-fluorophenyl)-2-phenylethanol
CID 106644408
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
1-(3-bromo-2-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 107954002
(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
CID 106644550
1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol
CID 106645063
1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448253
1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461101

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol (CID 114020683) is 1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol is Cc1cccnc1CC(O)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
The InChIKey is XPMNTFNHBGLMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9-4-3-7-17-12(9)8-13(18)10-5-2-6-11(15)14(10)16/h2-7,13,18H,8H2,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
1-(3-bromo-2-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-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 114020683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).