2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol

C10H14Cl2N2O — CID 106993926

IUPAC2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C10H14Cl2N2O/c1-7(6-15)14(2)5-8-3-4-9(11)13-10(8)12/h3-4,7,15H,5-6H2,1-2H3
InChIKeyCHOISMIUHOEWSV-UHFFFAOYSA-N
MW249.14 g/mol
LogP2.20
Rot. Bonds4

About 2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol

2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol (PubChem CID 106993926) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is 2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol
PubChem CID106993926
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C10H14Cl2N2O/c1-7(6-15)14(2)5-8-3-4-9(11)13-10(8)12/h3-4,7,15H,5-6H2,1-2H3
InChIKeyCHOISMIUHOEWSV-UHFFFAOYSA-N
XLogP2.20
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

((6-Chloropyridin-3-yl)methyl)(methyl)(propan-2-yl)amine
CID 18071209
2-{[(2-Chloropyridin-3-yl)methyl]amino}ethan-1-ol
CID 82669316
1-[1-[(2,6-Dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol
CID 53598371
3-[(6-Chloro-3-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 56804347
2-[(3-Chloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]-2-methylpropan-1-ol
CID 71857541
3-[(3-Chloro-4-pyridinyl)methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 72115608
(2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 164636404
1-(((2,6-Dichloro-4-methylpyridin-3-yl)methyl)(methyl)amino)-4,4,4-trifluorobutan-2-ol
CID 57512864
1-(((2,6-Dichloropyridin-3-yl)methyl)(methyl)amino)-4,4,4-trifluorobutan-2-ol
CID 57512868
1-[(2,6-Dichloro-pyridin-3-ylmethyl)-amino]-5,5,5-trifluoro-pentan-2-ol
CID 57512906
1-[(2,6-Dichloro-pyridin-3-ylmethyl)-methyl-amino]-5-fluoro-4-fluoromethyl-pentan-2-ol
CID 57512916
1-[1-(2,6-Dichloro-pyridin-3-yl)-ethylamino]-4,4,4-trifluoro-butan-2-ol
CID 57512917

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol?
The IUPAC name of 2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol (CID 106993926) is 2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol is CC(CO)N(C)Cc1ccc(Cl)nc1Cl.
What is the InChIKey of 2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol?
The InChIKey is CHOISMIUHOEWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O/c1-7(6-15)14(2)5-8-3-4-9(11)13-10(8)12/h3-4,7,15H,5-6H2,1-2H3.
What are the key properties of 2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol?
2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol has a molecular weight of 249.14 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol is sourced from PubChem (CID 106993926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).