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

C13H11ClF3NOS — CID 106971544

IUPAC[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2ccc(C(F)(F)F)nc2Cl)c(C)s1
InChIInChI=1S/C13H11ClF3NOS/c1-6-5-9(7(2)20-6)11(19)8-3-4-10(13(15,16)17)18-12(8)14/h3-5,11,19H,1-2H3
InChIKeyHILXIBUGHFWEKU-UHFFFAOYSA-N
MW321.75 g/mol
LogP4.51
Rot. Bonds2

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

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol (PubChem CID 106971544) has the molecular formula C13H11ClF3NOS and a molecular weight of 321.75 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol
PubChem CID106971544
Molecular FormulaC13H11ClF3NOS
Molecular Weight321.75 g/mol
Exact Mass321.02
IUPAC Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2ccc(C(F)(F)F)nc2Cl)c(C)s1
InChIInChI=1S/C13H11ClF3NOS/c1-6-5-9(7(2)20-6)11(19)8-3-4-10(13(15,16)17)18-12(8)14/h3-5,11,19H,1-2H3
InChIKeyHILXIBUGHFWEKU-UHFFFAOYSA-N
XLogP4.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.75
LogP ≤ 54.51
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

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-fluoro-2-methylphenyl)methanol
CID 106972147
(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]-(2-methyl-3-pyridinyl)methanol
CID 106972085
(4-bromo-5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971715
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol
CID 106972099
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol
CID 106971514
(4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971491
(3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971991
(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 61088539
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,4,4-trimethylpentan-1-ol
CID 106972121
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-(2-methylphenyl)ethanol
CID 106972080

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol?
The IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol (CID 106971544) is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol is Cc1cc(C(O)c2ccc(C(F)(F)F)nc2Cl)c(C)s1.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol?
The InChIKey is HILXIBUGHFWEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3NOS/c1-6-5-9(7(2)20-6)11(19)8-3-4-10(13(15,16)17)18-12(8)14/h3-5,11,19H,1-2H3.
What are the key properties of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol?
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol has a molecular weight of 321.75 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol is sourced from PubChem (CID 106971544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).