2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol

C10H16ClN3O — CID 104554407

IUPAC2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)Cc1nc(N)ccc1Cl
InChIInChI=1S/C10H16ClN3O/c1-7(6-15)14(2)5-9-8(11)3-4-10(12)13-9/h3-4,7,15H,5-6H2,1-2H3,(H2,12,13)
InChIKeyKLECASGKZOPMID-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.13
Rot. Bonds4

About 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol

2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol (PubChem CID 104554407) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol
PubChem CID104554407
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)Cc1nc(N)ccc1Cl
InChIInChI=1S/C10H16ClN3O/c1-7(6-15)14(2)5-9-8(11)3-4-10(12)13-9/h3-4,7,15H,5-6H2,1-2H3,(H2,12,13)
InChIKeyKLECASGKZOPMID-UHFFFAOYSA-N
XLogP1.13
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol?
The IUPAC name of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol (CID 104554407) is 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol is CC(CO)N(C)Cc1nc(N)ccc1Cl.
What is the InChIKey of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol?
The InChIKey is KLECASGKZOPMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-7(6-15)14(2)5-9-8(11)3-4-10(12)13-9/h3-4,7,15H,5-6H2,1-2H3,(H2,12,13).
What are the key properties of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol?
2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol has a molecular weight of 229.71 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol is sourced from PubChem (CID 104554407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).