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

C13H7Cl2F4NO — CID 106971706

IUPAC(5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1cc(Cl)ccc1F)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H7Cl2F4NO/c14-6-1-3-9(16)8(5-6)11(21)7-2-4-10(13(17,18)19)20-12(7)15/h1-5,11,21H
InChIKeyKLBMRFUMLSHQQE-UHFFFAOYSA-N
MW340.10 g/mol
LogP4.63
Rot. Bonds2

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

(5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 106971706) has the molecular formula C13H7Cl2F4NO and a molecular weight of 340.10 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID106971706
Molecular FormulaC13H7Cl2F4NO
Molecular Weight340.10 g/mol
Exact Mass338.98
IUPAC Name(5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1cc(Cl)ccc1F)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H7Cl2F4NO/c14-6-1-3-9(16)8(5-6)11(21)7-2-4-10(13(17,18)19)20-12(7)15/h1-5,11,21H
InChIKeyKLBMRFUMLSHQQE-UHFFFAOYSA-N
XLogP4.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.10
LogP ≤ 54.63
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]-(3,4-difluorophenyl)methanol
CID 106971514
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-fluoro-2-methylphenyl)methanol
CID 106972147
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol
CID 106972099
(5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971530
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol
CID 106971544
(4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971491
(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
(4-bromo-5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971715
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol
CID 106971550
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol
CID 106971520
(5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanol
CID 61100029

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol (CID 106971706) is (5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol is OC(c1cc(Cl)ccc1F)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is KLBMRFUMLSHQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F4NO/c14-6-1-3-9(16)8(5-6)11(21)7-2-4-10(13(17,18)19)20-12(7)15/h1-5,11,21H.
What are the key properties of (5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
(5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 340.10 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 106971706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).