[2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol

C13H8BrF4NO — CID 114981057

IUPAC[2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol
SMILESOC(c1cncc(F)c1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C13H8BrF4NO/c14-11-2-1-8(13(16,17)18)4-10(11)12(20)7-3-9(15)6-19-5-7/h1-6,12,20H
InChIKeyJKUMHSSUUFPAEU-UHFFFAOYSA-N
MW350.11 g/mol
LogP4.08
Rot. Bonds2

About [2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol

[2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol (PubChem CID 114981057) has the molecular formula C13H8BrF4NO and a molecular weight of 350.11 g/mol. Its IUPAC name is [2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol.

Molecular Properties

Compound Name[2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol
PubChem CID114981057
Molecular FormulaC13H8BrF4NO
Molecular Weight350.11 g/mol
Exact Mass348.97
IUPAC Name[2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol
SMILESOC(c1cncc(F)c1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C13H8BrF4NO/c14-11-2-1-8(13(16,17)18)4-10(11)12(20)7-3-9(15)6-19-5-7/h1-6,12,20H
InChIKeyJKUMHSSUUFPAEU-UHFFFAOYSA-N
XLogP4.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.11
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-bromo-5-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol
CID 114982412
(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63426128
1-[2-bromo-5-(trifluoromethyl)phenyl]prop-2-yn-1-ol
CID 115811105
(2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol
CID 114981130
[2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol
CID 114979165
(2,3-difluoro-4-methylphenyl)-(5-fluoro-3-pyridinyl)methanol
CID 107516186
(2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131586702
(2S)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131441152
[(5-fluoro-3-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759931
(2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759051
1-(5-fluoro-3-pyridinyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 115804514
1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 43825554

Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol?
The IUPAC name of [2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol (CID 114981057) is [2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol.
What is the SMILES notation for [2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol?
The canonical SMILES for [2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol is OC(c1cncc(F)c1)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of [2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol?
The InChIKey is JKUMHSSUUFPAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF4NO/c14-11-2-1-8(13(16,17)18)4-10(11)12(20)7-3-9(15)6-19-5-7/h1-6,12,20H.
What are the key properties of [2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol?
[2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol has a molecular weight of 350.11 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol is sourced from PubChem (CID 114981057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).