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

C12H8BrF3N2O — CID 102707906

IUPAC(3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1cnccc1C(F)(F)F)c1ncccc1Br
InChIInChI=1S/C12H8BrF3N2O/c13-9-2-1-4-18-10(9)11(19)7-6-17-5-3-8(7)12(14,15)16/h1-6,11,19H
InChIKeyLZIWODAKOGNTRQ-UHFFFAOYSA-N
MW333.11 g/mol
LogP3.34
Rot. Bonds2

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

(3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 102707906) has the molecular formula C12H8BrF3N2O and a molecular weight of 333.11 g/mol. Its IUPAC name is (3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID102707906
Molecular FormulaC12H8BrF3N2O
Molecular Weight333.11 g/mol
Exact Mass331.98
IUPAC Name(3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1cnccc1C(F)(F)F)c1ncccc1Br
InChIInChI=1S/C12H8BrF3N2O/c13-9-2-1-4-18-10(9)11(19)7-6-17-5-3-8(7)12(14,15)16/h1-6,11,19H
InChIKeyLZIWODAKOGNTRQ-UHFFFAOYSA-N
XLogP3.34
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.11
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707279
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
(2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707425
(4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707423
(2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 107538556
(3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707278
(2,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707286
[4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol
CID 102707275
1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol
CID 102707910
1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707292
(3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707386
(5-ethylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707294

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (CID 102707906) is (3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is OC(c1cnccc1C(F)(F)F)c1ncccc1Br.
What is the InChIKey of (3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is LZIWODAKOGNTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2O/c13-9-2-1-4-18-10(9)11(19)7-6-17-5-3-8(7)12(14,15)16/h1-6,11,19H.
What are the key properties of (3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
(3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 333.11 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 102707906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).