2-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]-2-methylpropane-1,3-diol

C11H16Cl2N2O2 — CID 100760254

IUPAC2-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]-2-methylpropane-1,3-diol
SMILESCN(CC(C)(CO)CO)c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O2/c1-11(6-16,7-17)5-15(2)10-9(13)3-8(12)4-14-10/h3-4,16-17H,5-7H2,1-2H3
InChIKeyXFIVYDULWJUPMO-UHFFFAOYSA-N
MW279.17 g/mol
LogP1.82
Rot. Bonds5

About 2-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]-2-methylpropane-1,3-diol

2-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]-2-methylpropane-1,3-diol (PubChem CID 100760254) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 2-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]-2-methylpropane-1,3-diol
PubChem CID100760254
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC Name2-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]-2-methylpropane-1,3-diol
SMILESCN(CC(C)(CO)CO)c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O2/c1-11(6-16,7-17)5-15(2)10-9(13)3-8(12)4-14-10/h3-4,16-17H,5-7H2,1-2H3
InChIKeyXFIVYDULWJUPMO-UHFFFAOYSA-N
XLogP1.82
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]-2-methylpropane-1,3-diol (CID 100760254) is 2-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]-2-methylpropane-1,3-diol is CN(CC(C)(CO)CO)c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]-2-methylpropane-1,3-diol?
The InChIKey is XFIVYDULWJUPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2/c1-11(6-16,7-17)5-15(2)10-9(13)3-8(12)4-14-10/h3-4,16-17H,5-7H2,1-2H3.
What are the key properties of 2-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]-2-methylpropane-1,3-diol?
2-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]-2-methylpropane-1,3-diol has a molecular weight of 279.17 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 100760254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).