2-[(4-bromo-2-fluorophenyl)methyl]pyridin-3-ol

C12H9BrFNO — CID 57265837

IUPAC2-[(4-bromo-2-fluorophenyl)methyl]pyridin-3-ol
SMILESOc1cccnc1Cc1ccc(Br)cc1F
InChIInChI=1S/C12H9BrFNO/c13-9-4-3-8(10(14)7-9)6-11-12(16)2-1-5-15-11/h1-5,7,16H,6H2
InChIKeyYKTKOWMWBKKANG-UHFFFAOYSA-N
MW282.11 g/mol
LogP3.28
Rot. Bonds2

About 2-[(4-bromo-2-fluorophenyl)methyl]pyridin-3-ol

2-[(4-bromo-2-fluorophenyl)methyl]pyridin-3-ol (PubChem CID 57265837) has the molecular formula C12H9BrFNO and a molecular weight of 282.11 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methyl]pyridin-3-ol
PubChem CID57265837
Molecular FormulaC12H9BrFNO
Molecular Weight282.11 g/mol
Exact Mass280.99
IUPAC Name2-[(4-bromo-2-fluorophenyl)methyl]pyridin-3-ol
SMILESOc1cccnc1Cc1ccc(Br)cc1F
InChIInChI=1S/C12H9BrFNO/c13-9-4-3-8(10(14)7-9)6-11-12(16)2-1-5-15-11/h1-5,7,16H,6H2
InChIKeyYKTKOWMWBKKANG-UHFFFAOYSA-N
XLogP3.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-2-fluorophenyl)methylsulfanyl]pyrimidine
CID 47095311
2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62600239
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine
CID 43689958
2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole
CID 171846633
3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine
CID 43438660
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 43385187
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66413713
1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 66411003
2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704
N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 43093210
5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole
CID 66657454

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]pyridin-3-ol?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]pyridin-3-ol (CID 57265837) is 2-[(4-bromo-2-fluorophenyl)methyl]pyridin-3-ol.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methyl]pyridin-3-ol?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methyl]pyridin-3-ol is Oc1cccnc1Cc1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methyl]pyridin-3-ol?
The InChIKey is YKTKOWMWBKKANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO/c13-9-4-3-8(10(14)7-9)6-11-12(16)2-1-5-15-11/h1-5,7,16H,6H2.
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methyl]pyridin-3-ol?
2-[(4-bromo-2-fluorophenyl)methyl]pyridin-3-ol has a molecular weight of 282.11 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methyl]pyridin-3-ol is sourced from PubChem (CID 57265837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).