(4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol

C14H11BrF3NO — CID 102707423

IUPAC(4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCc1cc(C(O)c2cnccc2C(F)(F)F)ccc1Br
InChIInChI=1S/C14H11BrF3NO/c1-8-6-9(2-3-12(8)15)13(20)10-7-19-5-4-11(10)14(16,17)18/h2-7,13,20H,1H3
InChIKeyQYOAKWDINBUEMT-UHFFFAOYSA-N
MW346.15 g/mol
LogP4.25
Rot. Bonds2

About (4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol

(4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 102707423) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID102707423
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name(4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCc1cc(C(O)c2cnccc2C(F)(F)F)ccc1Br
InChIInChI=1S/C14H11BrF3NO/c1-8-6-9(2-3-12(8)15)13(20)10-7-19-5-4-11(10)14(16,17)18/h2-7,13,20H,1H3
InChIKeyQYOAKWDINBUEMT-UHFFFAOYSA-N
XLogP4.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707278
[4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol
CID 102707275
(2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707279
(2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707425
[(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710530
(4-bromo-3-methylphenyl)-pyridin-3-ylmethanol
CID 81447903
(3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707906
(3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 66274356
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708046
[(3,4-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710524
(2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 107538556

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (CID 102707423) is (4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is Cc1cc(C(O)c2cnccc2C(F)(F)F)ccc1Br.
What is the InChIKey of (4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is QYOAKWDINBUEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c1-8-6-9(2-3-12(8)15)13(20)10-7-19-5-4-11(10)14(16,17)18/h2-7,13,20H,1H3.
What are the key properties of (4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
(4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 346.15 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 102707423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).