1-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]ethanol

C8H7ClF3NO — CID 130802556

IUPAC1-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESCC(O)c1ccc(Cl)nc1C(F)(F)F
InChIInChI=1S/C8H7ClF3NO/c1-4(14)5-2-3-6(9)13-7(5)8(10,11)12/h2-4,14H,1H3
InChIKeyQJRNQAWYRZLVEB-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.81
Rot. Bonds1

About 1-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]ethanol

1-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]ethanol (PubChem CID 130802556) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 1-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]ethanol
PubChem CID130802556
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name1-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESCC(O)c1ccc(Cl)nc1C(F)(F)F
InChIInChI=1S/C8H7ClF3NO/c1-4(14)5-2-3-6(9)13-7(5)8(10,11)12/h2-4,14H,1H3
InChIKeyQJRNQAWYRZLVEB-UHFFFAOYSA-N
XLogP2.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.81
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 1-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]ethanol?
The IUPAC name of 1-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]ethanol (CID 130802556) is 1-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]ethanol?
The canonical SMILES for 1-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]ethanol is CC(O)c1ccc(Cl)nc1C(F)(F)F.
What is the InChIKey of 1-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]ethanol?
The InChIKey is QJRNQAWYRZLVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c1-4(14)5-2-3-6(9)13-7(5)8(10,11)12/h2-4,14H,1H3.
What are the key properties of 1-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]ethanol?
1-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]ethanol has a molecular weight of 225.60 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 130802556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).