(4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol

C13H8BrClF3NO — CID 106971491

IUPAC(4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1ccc(Br)cc1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H8BrClF3NO/c14-8-3-1-7(2-4-8)11(20)9-5-6-10(13(16,17)18)19-12(9)15/h1-6,11,20H
InChIKeyNMEODCGFUMYECK-UHFFFAOYSA-N
MW366.56 g/mol
LogP4.60
Rot. Bonds2

About (4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol

(4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 106971491) has the molecular formula C13H8BrClF3NO and a molecular weight of 366.56 g/mol. Its IUPAC name is (4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID106971491
Molecular FormulaC13H8BrClF3NO
Molecular Weight366.56 g/mol
Exact Mass364.94
IUPAC Name(4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1ccc(Br)cc1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H8BrClF3NO/c14-8-3-1-7(2-4-8)11(20)9-5-6-10(13(16,17)18)19-12(9)15/h1-6,11,20H
InChIKeyNMEODCGFUMYECK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol
CID 106972099
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol
CID 106971514
(3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971991
(4-bromo-5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971715
(5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971706
(5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971530
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol
CID 106971722
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol
CID 106971544
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-fluoro-2-methylphenyl)methanol
CID 106972147
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol
CID 106972085
[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
CID 62688965
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,4,4-trimethylpentan-1-ol
CID 106972121

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol (CID 106971491) is (4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol is OC(c1ccc(Br)cc1)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of (4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is NMEODCGFUMYECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF3NO/c14-8-3-1-7(2-4-8)11(20)9-5-6-10(13(16,17)18)19-12(9)15/h1-6,11,20H.
What are the key properties of (4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
(4-bromophenyl)-[2-chloro-6-(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 (4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 106971491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).