2,2,2-trichloro-1-pyridin-2-ylethanol

C7H6Cl3NO — CID 3066911

IUPAC2,2,2-trichloro-1-pyridin-2-ylethanol
SMILESOC(c1ccccn1)C(Cl)(Cl)Cl
InChIInChI=1S/C7H6Cl3NO/c8-7(9,10)6(12)5-3-1-2-4-11-5/h1-4,6,12H
InChIKeyVQQUQMTWROHDAY-UHFFFAOYSA-N
MW226.49 g/mol
LogP2.49
Rot. Bonds1

About 2,2,2-trichloro-1-pyridin-2-ylethanol

2,2,2-trichloro-1-pyridin-2-ylethanol (PubChem CID 3066911) has the molecular formula C7H6Cl3NO and a molecular weight of 226.49 g/mol. Its IUPAC name is 2,2,2-trichloro-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name2,2,2-trichloro-1-pyridin-2-ylethanol
PubChem CID3066911
Molecular FormulaC7H6Cl3NO
Molecular Weight226.49 g/mol
Exact Mass224.95
IUPAC Name2,2,2-trichloro-1-pyridin-2-ylethanol
SMILESOC(c1ccccn1)C(Cl)(Cl)Cl
InChIInChI=1S/C7H6Cl3NO/c8-7(9,10)6(12)5-3-1-2-4-11-5/h1-4,6,12H
InChIKeyVQQUQMTWROHDAY-UHFFFAOYSA-N
XLogP2.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
2-chloro-1-pyridin-2-ylethanol
CID 22145518
2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile
CID 79137493
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one
CID 164672038
2-(dichloromethyl)pyridine;hydrochloride
CID 18385076
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
CID 28766943
(1S)-2-methyl-1-pyridin-2-ylpropan-1-ol
CID 51670363
chloro(pyridin-2-yl)methanamine
CID 22075524
2-(1,3-dichloropropan-2-yl)pyridine
CID 14046520
2-(1-chloro-2,2-dimethylpropyl)pyridine
CID 146396915

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-pyridin-2-ylethanol?
The IUPAC name of 2,2,2-trichloro-1-pyridin-2-ylethanol (CID 3066911) is 2,2,2-trichloro-1-pyridin-2-ylethanol.
What is the SMILES notation for 2,2,2-trichloro-1-pyridin-2-ylethanol?
The canonical SMILES for 2,2,2-trichloro-1-pyridin-2-ylethanol is OC(c1ccccn1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-pyridin-2-ylethanol?
The InChIKey is VQQUQMTWROHDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl3NO/c8-7(9,10)6(12)5-3-1-2-4-11-5/h1-4,6,12H.
What are the key properties of 2,2,2-trichloro-1-pyridin-2-ylethanol?
2,2,2-trichloro-1-pyridin-2-ylethanol has a molecular weight of 226.49 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-pyridin-2-ylethanol is sourced from PubChem (CID 3066911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).