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

C13H7BrF5NO — CID 107538556

IUPAC(2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1cnccc1C(F)(F)F)c1ccc(F)c(F)c1Br
InChIInChI=1S/C13H7BrF5NO/c14-10-6(1-2-9(15)11(10)16)12(21)7-5-20-4-3-8(7)13(17,18)19/h1-5,12,21H
InChIKeyLUKOMDJJWCILHK-UHFFFAOYSA-N
MW368.10 g/mol
LogP4.22
Rot. Bonds2

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

(2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 107538556) has the molecular formula C13H7BrF5NO and a molecular weight of 368.10 g/mol. Its IUPAC name is (2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID107538556
Molecular FormulaC13H7BrF5NO
Molecular Weight368.10 g/mol
Exact Mass366.96
IUPAC Name(2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1cnccc1C(F)(F)F)c1ccc(F)c(F)c1Br
InChIInChI=1S/C13H7BrF5NO/c14-10-6(1-2-9(15)11(10)16)12(21)7-5-20-4-3-8(7)13(17,18)19/h1-5,12,21H
InChIKeyLUKOMDJJWCILHK-UHFFFAOYSA-N
XLogP4.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.10
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707425
(2,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707286
(2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707279
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
(3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707906
(4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707423
(2-bromo-3,4-difluorophenyl)-(2,3-difluorophenyl)methanol
CID 107538306
(2-bromo-3,4-difluorophenyl)-(2,4-difluorophenyl)methanol
CID 107538529
[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
(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710195
1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707292

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (CID 107538556) is (2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is OC(c1cnccc1C(F)(F)F)c1ccc(F)c(F)c1Br.
What is the InChIKey of (2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is LUKOMDJJWCILHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF5NO/c14-10-6(1-2-9(15)11(10)16)12(21)7-5-20-4-3-8(7)13(17,18)19/h1-5,12,21H.
What are the key properties of (2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
(2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 368.10 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 107538556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).