1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol

C14H13BrFNO — CID 104799944

IUPAC1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Br)cn1)Cc1ccccc1F
InChIInChI=1S/C14H13BrFNO/c15-11-5-6-12(17-9-11)8-13(18)7-10-3-1-2-4-14(10)16/h1-6,9,13,18H,7-8H2
InChIKeyPAARAQBPEXTZPA-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.13
Rot. Bonds4

About 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol

1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol (PubChem CID 104799944) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol
PubChem CID104799944
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Br)cn1)Cc1ccccc1F
InChIInChI=1S/C14H13BrFNO/c15-11-5-6-12(17-9-11)8-13(18)7-10-3-1-2-4-14(10)16/h1-6,9,13,18H,7-8H2
InChIKeyPAARAQBPEXTZPA-UHFFFAOYSA-N
XLogP3.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
CID 113454867
1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol
CID 105126282
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832657
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800606
1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-ol
CID 105126288
1-(2-chlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 54978146
1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 62500658
1-amino-3-(2-fluorophenyl)propan-2-ol
CID 64982726
2-(5-bromo-2-pyridinyl)-1-(3-fluoro-2-pyridinyl)ethanamine
CID 104803638
1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105126126
1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642497

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol (CID 104799944) is 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol is OC(Cc1ccc(Br)cn1)Cc1ccccc1F.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol?
The InChIKey is PAARAQBPEXTZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-11-5-6-12(17-9-11)8-13(18)7-10-3-1-2-4-14(10)16/h1-6,9,13,18H,7-8H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol?
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol has a molecular weight of 310.17 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 104799944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).