2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]ethanol

C8H7ClF3NO — CID 86706870

IUPAC2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]ethanol
SMILESOCCc1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C8H7ClF3NO/c9-7-4-5(1-2-14)3-6(13-7)8(10,11)12/h3-4,14H,1-2H2
InChIKeyOWAVBHXGGCELLQ-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.29
Rot. Bonds2

About 2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]ethanol

2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]ethanol (PubChem CID 86706870) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]ethanol
PubChem CID86706870
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]ethanol
SMILESOCCc1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C8H7ClF3NO/c9-7-4-5(1-2-14)3-6(13-7)8(10,11)12/h3-4,14H,1-2H2
InChIKeyOWAVBHXGGCELLQ-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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Related Compounds

(2,4-Dichloro-6-methylpyridin-3-yl)methanol
CID 9267100
2,4-Pyridinediethanol, 6-methyl-beta,beta'-bis(chlorodifluoromethyl)-beta,beta'-bis(trifluoromethyl)-
CID 24844546
(2-Methyl-6-(trifluoromethyl)pyridin-3-yl)methanol
CID 2760122
2-(2,6-Dichloropyridin-3-yl)ethan-1-ol
CID 18427429
(2-Chloro-6-methylpyridin-4-yl)methanol
CID 22504306
[2-Chloro-6-(trifluoromethyl)pyridin-3-yl]methanol
CID 53256696
(6-Chloro-2-methylpyridin-3-yl)methanol
CID 59525984
2-Chloro-6-(trifluoromethyl)-4-pyridinemethanol
CID 72212583
(6-Chloro-4-methylpyridin-2-yl)methanol
CID 72710377
[6-Chloro-4-(trifluoromethyl)pyridin-2-yl]methanol
CID 112623595
(2-Chloro-6-methylpyridin-3-yl)methanol hydrochloride
CID 155820724
1-(2-Chloro-6-methylpyridin-4-yl)-2-fluoroethan-1-ol
CID 165655083

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]ethanol?
The IUPAC name of 2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]ethanol (CID 86706870) is 2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]ethanol.
What is the SMILES notation for 2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]ethanol?
The canonical SMILES for 2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]ethanol is OCCc1cc(Cl)nc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]ethanol?
The InChIKey is OWAVBHXGGCELLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c9-7-4-5(1-2-14)3-6(13-7)8(10,11)12/h3-4,14H,1-2H2.
What are the key properties of 2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]ethanol?
2-[2-chloro-6-(trifluoromethyl)-4-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-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]ethanol is sourced from PubChem (CID 86706870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).