[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol

C13H7Br2ClF3NO — CID 106972099

IUPAC[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol
SMILESOC(c1cc(Br)ccc1Br)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H7Br2ClF3NO/c14-6-1-3-9(15)8(5-6)11(21)7-2-4-10(13(17,18)19)20-12(7)16/h1-5,11,21H
InChIKeyYERGDYNJNZFGEM-UHFFFAOYSA-N
MW445.46 g/mol
LogP5.36
Rot. Bonds2

About [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol (PubChem CID 106972099) has the molecular formula C13H7Br2ClF3NO and a molecular weight of 445.46 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol
PubChem CID106972099
Molecular FormulaC13H7Br2ClF3NO
Molecular Weight445.46 g/mol
Exact Mass442.85
IUPAC Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol
SMILESOC(c1cc(Br)ccc1Br)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H7Br2ClF3NO/c14-6-1-3-9(15)8(5-6)11(21)7-2-4-10(13(17,18)19)20-12(7)16/h1-5,11,21H
InChIKeyYERGDYNJNZFGEM-UHFFFAOYSA-N
XLogP5.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.46
LogP ≤ 55.36
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

(4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971491
(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
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-fluoro-2-methylphenyl)methanol
CID 106972147
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol
CID 106971544
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol
CID 106971514
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone
CID 106971800
(2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759051
(2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol
CID 114024842
(3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971991
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol
CID 106972085
(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63426128

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol?
The IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol (CID 106972099) is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol is OC(c1cc(Br)ccc1Br)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol?
The InChIKey is YERGDYNJNZFGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClF3NO/c14-6-1-3-9(15)8(5-6)11(21)7-2-4-10(13(17,18)19)20-12(7)16/h1-5,11,21H.
What are the key properties of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol?
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol has a molecular weight of 445.46 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol is sourced from PubChem (CID 106972099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).