3-[(3,5,6-trichloro-2-pyridinyl)amino]cyclobutan-1-ol

C9H9Cl3N2O — CID 102751362

IUPAC3-[(3,5,6-trichloro-2-pyridinyl)amino]cyclobutan-1-ol
SMILESOC1CC(Nc2nc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C9H9Cl3N2O/c10-6-3-7(11)9(14-8(6)12)13-4-1-5(15)2-4/h3-5,15H,1-2H2,(H,13,14)
InChIKeyUHHDKWLJRUOPAJ-UHFFFAOYSA-N
MW267.54 g/mol
LogP2.98
Rot. Bonds2

About 3-[(3,5,6-trichloro-2-pyridinyl)amino]cyclobutan-1-ol

3-[(3,5,6-trichloro-2-pyridinyl)amino]cyclobutan-1-ol (PubChem CID 102751362) has the molecular formula C9H9Cl3N2O and a molecular weight of 267.54 g/mol. Its IUPAC name is 3-[(3,5,6-trichloro-2-pyridinyl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(3,5,6-trichloro-2-pyridinyl)amino]cyclobutan-1-ol
PubChem CID102751362
Molecular FormulaC9H9Cl3N2O
Molecular Weight267.54 g/mol
Exact Mass265.98
IUPAC Name3-[(3,5,6-trichloro-2-pyridinyl)amino]cyclobutan-1-ol
SMILESOC1CC(Nc2nc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C9H9Cl3N2O/c10-6-3-7(11)9(14-8(6)12)13-4-1-5(15)2-4/h3-5,15H,1-2H2,(H,13,14)
InChIKeyUHHDKWLJRUOPAJ-UHFFFAOYSA-N
XLogP2.98
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.54
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5,6-trichloro-N-cyclopentylpyridin-2-amine
CID 102750169
3-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 102751364
3,5,6-trichloro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine
CID 102751760
N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine
CID 102751237
3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine
CID 102750636
4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 102762405
[2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol
CID 106364152
3,5,6-trichloro-N-(2-ethylcyclohexyl)pyridin-2-amine
CID 102750633
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol
CID 79073506
N-(3,5,6-trichloro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 102750709
3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine
CID 102751716
(3,5,6-trichloro-2-pyridinyl)hydrazine;hydrochloride
CID 172553529

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5,6-trichloro-2-pyridinyl)amino]cyclobutan-1-ol?
The IUPAC name of 3-[(3,5,6-trichloro-2-pyridinyl)amino]cyclobutan-1-ol (CID 102751362) is 3-[(3,5,6-trichloro-2-pyridinyl)amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(3,5,6-trichloro-2-pyridinyl)amino]cyclobutan-1-ol?
The canonical SMILES for 3-[(3,5,6-trichloro-2-pyridinyl)amino]cyclobutan-1-ol is OC1CC(Nc2nc(Cl)c(Cl)cc2Cl)C1.
What is the InChIKey of 3-[(3,5,6-trichloro-2-pyridinyl)amino]cyclobutan-1-ol?
The InChIKey is UHHDKWLJRUOPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl3N2O/c10-6-3-7(11)9(14-8(6)12)13-4-1-5(15)2-4/h3-5,15H,1-2H2,(H,13,14).
What are the key properties of 3-[(3,5,6-trichloro-2-pyridinyl)amino]cyclobutan-1-ol?
3-[(3,5,6-trichloro-2-pyridinyl)amino]cyclobutan-1-ol has a molecular weight of 267.54 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5,6-trichloro-2-pyridinyl)amino]cyclobutan-1-ol is sourced from PubChem (CID 102751362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).