2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanol

C8H7ClF3NO — CID 135155149

IUPAC2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESOCCc1nc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C8H7ClF3NO/c9-7-2-1-5(8(10,11)12)6(13-7)3-4-14/h1-2,14H,3-4H2
InChIKeyQJHOUMUZKMEBNG-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.29
Rot. Bonds2

About 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanol

2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanol (PubChem CID 135155149) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanol
PubChem CID135155149
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESOCCc1nc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C8H7ClF3NO/c9-7-2-1-5(8(10,11)12)6(13-7)3-4-14/h1-2,14H,3-4H2
InChIKeyQJHOUMUZKMEBNG-UHFFFAOYSA-N
XLogP2.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanol?
The IUPAC name of 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanol (CID 135155149) is 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanol.
What is the SMILES notation for 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanol?
The canonical SMILES for 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanol is OCCc1nc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanol?
The InChIKey is QJHOUMUZKMEBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c9-7-2-1-5(8(10,11)12)6(13-7)3-4-14/h1-2,14H,3-4H2.
What are the key properties of 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanol?
2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanol has a molecular weight of 225.60 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanol is sourced from PubChem (CID 135155149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).