[2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol

C12H15Cl3N2O — CID 106364152

IUPAC[2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol
SMILESOCC1CCCCC1Nc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O/c13-8-5-9(14)12(17-11(8)15)16-10-4-2-1-3-7(10)6-18/h5,7,10,18H,1-4,6H2,(H,16,17)
InChIKeyFTIHYHHAFMXSLB-UHFFFAOYSA-N
MW309.62 g/mol
LogP4.00
Rot. Bonds3

About [2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol

[2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol (PubChem CID 106364152) has the molecular formula C12H15Cl3N2O and a molecular weight of 309.62 g/mol. Its IUPAC name is [2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol
PubChem CID106364152
Molecular FormulaC12H15Cl3N2O
Molecular Weight309.62 g/mol
Exact Mass308.02
IUPAC Name[2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol
SMILESOCC1CCCCC1Nc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O/c13-8-5-9(14)12(17-11(8)15)16-10-4-2-1-3-7(10)6-18/h5,7,10,18H,1-4,6H2,(H,16,17)
InChIKeyFTIHYHHAFMXSLB-UHFFFAOYSA-N
XLogP4.00
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.62
LogP ≤ 54.00
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-(2-ethylcyclohexyl)pyridin-2-amine
CID 102750633
[2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 102751354
3,5,6-trichloro-N-cyclopentylpyridin-2-amine
CID 102750169
[2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol
CID 106364159
[2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368316
[2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 114178433
N-(3,5,6-trichloro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 102750709
[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106364141
4-chloro-6-[[2-(hydroxymethyl)cyclohexyl]amino]pyrimidine-5-carbaldehyde
CID 114179129
3-[(3,5,6-trichloro-2-pyridinyl)amino]cyclobutan-1-ol
CID 102751362
3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 102750821
N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine
CID 102751237

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol (CID 106364152) is [2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol is OCC1CCCCC1Nc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol?
The InChIKey is FTIHYHHAFMXSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3N2O/c13-8-5-9(14)12(17-11(8)15)16-10-4-2-1-3-7(10)6-18/h5,7,10,18H,1-4,6H2,(H,16,17).
What are the key properties of [2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol?
[2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol has a molecular weight of 309.62 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol is sourced from PubChem (CID 106364152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).