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

C11H6Cl2F3NOS — CID 106971530

IUPAC(5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1ccc(Cl)s1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C11H6Cl2F3NOS/c12-8-4-2-6(19-8)9(18)5-1-3-7(11(14,15)16)17-10(5)13/h1-4,9,18H
InChIKeyVSIWZXLLWNJECT-UHFFFAOYSA-N
MW328.14 g/mol
LogP4.55
Rot. Bonds2

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

(5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 106971530) has the molecular formula C11H6Cl2F3NOS and a molecular weight of 328.14 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID106971530
Molecular FormulaC11H6Cl2F3NOS
Molecular Weight328.14 g/mol
Exact Mass326.95
IUPAC Name(5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1ccc(Cl)s1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C11H6Cl2F3NOS/c12-8-4-2-6(19-8)9(18)5-1-3-7(11(14,15)16)17-10(5)13/h1-4,9,18H
InChIKeyVSIWZXLLWNJECT-UHFFFAOYSA-N
XLogP4.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.14
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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]-(2,5-dimethylthiophen-3-yl)methanol
CID 106971544
(4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971491
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol
CID 106971514
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol
CID 106972099
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-fluoro-2-methylphenyl)methanol
CID 106972147
(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-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol
CID 106971722
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol
CID 106971550
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol
CID 106971520

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol (CID 106971530) is (5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol is OC(c1ccc(Cl)s1)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of (5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is VSIWZXLLWNJECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F3NOS/c12-8-4-2-6(19-8)9(18)5-1-3-7(11(14,15)16)17-10(5)13/h1-4,9,18H.
What are the key properties of (5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
(5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 328.14 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 106971530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).