2-(3-bromo-4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanol

C14H13BrFNO — CID 63841370

IUPAC2-(3-bromo-4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanol
SMILESCc1ccnc(C(O)Cc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H13BrFNO/c1-9-4-5-17-13(6-9)14(18)8-10-2-3-12(16)11(15)7-10/h2-7,14,18H,8H2,1H3
InChIKeyBLIRNGIMIOUGPD-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.57
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanol

2-(3-bromo-4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanol (PubChem CID 63841370) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanol
PubChem CID63841370
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanol
SMILESCc1ccnc(C(O)Cc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H13BrFNO/c1-9-4-5-17-13(6-9)14(18)8-10-2-3-12(16)11(15)7-10/h2-7,14,18H,8H2,1H3
InChIKeyBLIRNGIMIOUGPD-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

2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanol
CID 63839071
2-(3-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105082327
3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol
CID 130153201
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 107538257
[2-(5-bromo-2-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethyl]hydrazine
CID 105219962
2-amino-1-(4-methyl-2-pyridinyl)ethanol;dihydrochloride
CID 71742337
2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 54971855
2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
CID 115818512
2-(methylamino)-1-(4-methyl-2-pyridinyl)ethanol
CID 82597131
(1S)-1-(4-methyl-2-pyridinyl)ethanol
CID 64712746
2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 115527859
1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103039131

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanol?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanol (CID 63841370) is 2-(3-bromo-4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanol is Cc1ccnc(C(O)Cc2ccc(F)c(Br)c2)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanol?
The InChIKey is BLIRNGIMIOUGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9-4-5-17-13(6-9)14(18)8-10-2-3-12(16)11(15)7-10/h2-7,14,18H,8H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanol?
2-(3-bromo-4-fluorophenyl)-1-(4-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 2-(3-bromo-4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 63841370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).