(2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol

C13H8BrClF3NO — CID 102707425

IUPAC(2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1ccc(Cl)cc1Br)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H8BrClF3NO/c14-11-5-7(15)1-2-8(11)12(20)9-6-19-4-3-10(9)13(16,17)18/h1-6,12,20H
InChIKeyBUCRGBCWZUTLTQ-UHFFFAOYSA-N
MW366.56 g/mol
LogP4.60
Rot. Bonds2

About (2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol

(2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 102707425) has the molecular formula C13H8BrClF3NO and a molecular weight of 366.56 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID102707425
Molecular FormulaC13H8BrClF3NO
Molecular Weight366.56 g/mol
Exact Mass364.94
IUPAC Name(2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1ccc(Cl)cc1Br)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H8BrClF3NO/c14-11-5-7(15)1-2-8(11)12(20)9-6-19-4-3-10(9)13(16,17)18/h1-6,12,20H
InChIKeyBUCRGBCWZUTLTQ-UHFFFAOYSA-N
XLogP4.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.56
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707279
(2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 107538556
(2,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707286
(3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707906
(4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707423
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
[(5-chloro-2-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710441
[4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol
CID 102707275
(2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol
CID 107991378
(2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107991315
(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102707952
(2-methoxy-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710239

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (CID 102707425) is (2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is OC(c1ccc(Cl)cc1Br)c1cnccc1C(F)(F)F.
What is the InChIKey of (2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is BUCRGBCWZUTLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF3NO/c14-11-5-7(15)1-2-8(11)12(20)9-6-19-4-3-10(9)13(16,17)18/h1-6,12,20H.
What are the key properties of (2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
(2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 366.56 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 102707425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).