1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol

C9H13BrN2O — CID 62333548

IUPAC1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1ncccc1Br
InChIInChI=1S/C9H13BrN2O/c1-7(13)6-12(2)9-8(10)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3
InChIKeyDLXMDMOYBINKHI-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.66
Rot. Bonds3

About 1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol

1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol (PubChem CID 62333548) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol
PubChem CID62333548
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1ncccc1Br
InChIInChI=1S/C9H13BrN2O/c1-7(13)6-12(2)9-8(10)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3
InChIKeyDLXMDMOYBINKHI-UHFFFAOYSA-N
XLogP1.66
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol (CID 62333548) is 1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol is CC(O)CN(C)c1ncccc1Br.
What is the InChIKey of 1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol?
The InChIKey is DLXMDMOYBINKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-7(13)6-12(2)9-8(10)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol?
1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol has a molecular weight of 245.12 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol is sourced from PubChem (CID 62333548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).