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

C13H17Cl3N2O — CID 102751354

IUPAC[2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H17Cl3N2O/c14-10-5-11(15)13(18-12(10)16)17-6-8-3-1-2-4-9(8)7-19/h5,8-9,19H,1-4,6-7H2,(H,17,18)
InChIKeyBTULLSMMEMOKFT-UHFFFAOYSA-N
MW323.65 g/mol
LogP4.25
Rot. Bonds4

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

[2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol (PubChem CID 102751354) has the molecular formula C13H17Cl3N2O and a molecular weight of 323.65 g/mol. Its IUPAC name is [2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
PubChem CID102751354
Molecular FormulaC13H17Cl3N2O
Molecular Weight323.65 g/mol
Exact Mass322.04
IUPAC Name[2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H17Cl3N2O/c14-10-5-11(15)13(18-12(10)16)17-6-8-3-1-2-4-9(8)7-19/h5,8-9,19H,1-4,6-7H2,(H,17,18)
InChIKeyBTULLSMMEMOKFT-UHFFFAOYSA-N
XLogP4.25
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 54.25
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-methylcyclohexyl)methyl]pyridin-2-amine
CID 102750821
[2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 102758815
[2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol
CID 106364152
3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 102750819
2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 102758635
3-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 102751364
[2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 79076621
3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 102750873
3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine
CID 107421190
3,5,6-trichloro-N-(2-ethylcyclohexyl)pyridin-2-amine
CID 102750633
[2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 80977885
3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 102750847

Frequently Asked Questions

What is the IUPAC name of [2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol (CID 102751354) is [2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol is OCC1CCCCC1CNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of [2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol?
The InChIKey is BTULLSMMEMOKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl3N2O/c14-10-5-11(15)13(18-12(10)16)17-6-8-3-1-2-4-9(8)7-19/h5,8-9,19H,1-4,6-7H2,(H,17,18).
What are the key properties of [2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol?
[2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol has a molecular weight of 323.65 g/mol, XLogP of 4.25, 4 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]methyl]cyclohexyl]methanol is sourced from PubChem (CID 102751354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).