(2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol

C13H9BrF3NO — CID 102707279

IUPAC(2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1ccccc1Br)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H9BrF3NO/c14-11-4-2-1-3-8(11)12(19)9-7-18-6-5-10(9)13(15,16)17/h1-7,12,19H
InChIKeyZQDCIOSVJMROAF-UHFFFAOYSA-N
MW332.12 g/mol
LogP3.94
Rot. Bonds2

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

(2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 102707279) has the molecular formula C13H9BrF3NO and a molecular weight of 332.12 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID102707279
Molecular FormulaC13H9BrF3NO
Molecular Weight332.12 g/mol
Exact Mass330.98
IUPAC Name(2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1ccccc1Br)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H9BrF3NO/c14-11-4-2-1-3-8(11)12(19)9-7-18-6-5-10(9)13(15,16)17/h1-7,12,19H
InChIKeyZQDCIOSVJMROAF-UHFFFAOYSA-N
XLogP3.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707906
(2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707425
(2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 107538556
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707292
(4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707423
(2,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707286
(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 106644358
(2-methoxy-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710239
(3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707278
[4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol
CID 102707275
pyrazolo[1,5-a]pyrazin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 103129340

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (CID 102707279) is (2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is OC(c1ccccc1Br)c1cnccc1C(F)(F)F.
What is the InChIKey of (2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is ZQDCIOSVJMROAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NO/c14-11-4-2-1-3-8(11)12(19)9-7-18-6-5-10(9)13(15,16)17/h1-7,12,19H.
What are the key properties of (2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
(2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 332.12 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 102707279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).