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

C10H11Cl3N2O — CID 102751364

IUPAC3-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNc2nc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C10H11Cl3N2O/c11-7-3-8(12)10(15-9(7)13)14-4-5-1-6(16)2-5/h3,5-6,16H,1-2,4H2,(H,14,15)
InChIKeyGXKGFRJWHNCRHC-UHFFFAOYSA-N
MW281.57 g/mol
LogP3.22
Rot. Bonds3

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

3-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclobutan-1-ol (PubChem CID 102751364) has the molecular formula C10H11Cl3N2O and a molecular weight of 281.57 g/mol. Its IUPAC name is 3-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
PubChem CID102751364
Molecular FormulaC10H11Cl3N2O
Molecular Weight281.57 g/mol
Exact Mass279.99
IUPAC Name3-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNc2nc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C10H11Cl3N2O/c11-7-3-8(12)10(15-9(7)13)14-4-5-1-6(16)2-5/h3,5-6,16H,1-2,4H2,(H,14,15)
InChIKeyGXKGFRJWHNCRHC-UHFFFAOYSA-N
XLogP3.22
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.57
LogP ≤ 53.22
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-[(3,5,6-trichloro-2-pyridinyl)amino]cyclobutan-1-ol
CID 102751362
[2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 102751354
3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 102750873
3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 102750821
3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 102750847
3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66006827
N-cyclopropyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide
CID 102750403
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
N-cyclopropyl-4-[(3,5,6-trichloro-2-pyridinyl)amino]butanamide
CID 102751454
3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 102750819
3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine
CID 102751998
1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol
CID 102750353

Frequently Asked Questions

What is the IUPAC name of 3-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclobutan-1-ol (CID 102751364) is 3-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclobutan-1-ol is OC1CC(CNc2nc(Cl)c(Cl)cc2Cl)C1.
What is the InChIKey of 3-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclobutan-1-ol?
The InChIKey is GXKGFRJWHNCRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3N2O/c11-7-3-8(12)10(15-9(7)13)14-4-5-1-6(16)2-5/h3,5-6,16H,1-2,4H2,(H,14,15).
What are the key properties of 3-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclobutan-1-ol?
3-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclobutan-1-ol has a molecular weight of 281.57 g/mol, XLogP of 3.22, 3 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]methyl]cyclobutan-1-ol is sourced from PubChem (CID 102751364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).