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

C14H13BrFNO — CID 113454857

IUPAC1-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(Br)cn1)c1ccccc1F
InChIInChI=1S/C14H13BrFNO/c1-14(18,12-4-2-3-5-13(12)16)8-11-7-6-10(15)9-17-11/h2-7,9,18H,8H2,1H3
InChIKeyUWOASKKLHGAGQJ-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.43
Rot. Bonds3

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

1-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)propan-2-ol (PubChem CID 113454857) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)propan-2-ol
PubChem CID113454857
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name1-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(Br)cn1)c1ccccc1F
InChIInChI=1S/C14H13BrFNO/c1-14(18,12-4-2-3-5-13(12)16)8-11-7-6-10(15)9-17-11/h2-7,9,18H,8H2,1H3
InChIKeyUWOASKKLHGAGQJ-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832657
1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine
CID 113455020
2-(2-bromophenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79740509
1-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 114930965
1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 106265089
2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol
CID 104813454
1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 105402442
4-[(5-bromo-2-pyridinyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865142
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 103047475
1-(2-chloro-6-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 61496162
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol
CID 104799944
N-[(5-bromo-2-pyridinyl)methyl]-3-fluoro-2-iodoaniline
CID 114258358

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)propan-2-ol (CID 113454857) is 1-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)propan-2-ol is CC(O)(Cc1ccc(Br)cn1)c1ccccc1F.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)propan-2-ol?
The InChIKey is UWOASKKLHGAGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-14(18,12-4-2-3-5-13(12)16)8-11-7-6-10(15)9-17-11/h2-7,9,18H,8H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)propan-2-ol?
1-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)propan-2-ol has a molecular weight of 310.17 g/mol, XLogP of 3.43, 3 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)-2-(2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 113454857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).