3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol

C9H13BrN2O — CID 145104975

IUPAC3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol
SMILESCN(CCCO)c1cccc(Br)n1
InChIInChI=1S/C9H13BrN2O/c1-12(6-3-7-13)9-5-2-4-8(10)11-9/h2,4-5,13H,3,6-7H2,1H3
InChIKeyJQCKVPHGPNZXNS-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.66
Rot. Bonds4

About 3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol

3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol (PubChem CID 145104975) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol
PubChem CID145104975
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol
SMILESCN(CCCO)c1cccc(Br)n1
InChIInChI=1S/C9H13BrN2O/c1-12(6-3-7-13)9-5-2-4-8(10)11-9/h2,4-5,13H,3,6-7H2,1H3
InChIKeyJQCKVPHGPNZXNS-UHFFFAOYSA-N
XLogP1.66
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol
CID 107201811
3-[methyl(pyridin-2-yl)amino]propan-1-ol
CID 57466357
6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 63960883
2-[(6-fluoro-2-pyridinyl)-methylamino]ethanol
CID 61229567
6-bromo-N,N-dibutylpyridin-2-amine
CID 63961710
2-[[6-(hydroxymethyl)-2-pyridinyl]-methylamino]ethanol
CID 62253944
3-[(4-bromo-2-pyridinyl)-methylamino]propan-1-ol
CID 170352221
6-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine
CID 63962798
4-[methyl(pyridin-2-yl)amino]butan-1-ol
CID 115217548
6-bromo-N-[(2,2-difluorocyclopropyl)methyl]-N-methylpyridin-2-amine
CID 118970389
5-[(6-bromo-2-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107201844
6-fluoro-N-methyl-N-pentylpyridin-2-amine
CID 61230318

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol?
The IUPAC name of 3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol (CID 145104975) is 3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol.
What is the SMILES notation for 3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol?
The canonical SMILES for 3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol is CN(CCCO)c1cccc(Br)n1.
What is the InChIKey of 3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol?
The InChIKey is JQCKVPHGPNZXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-12(6-3-7-13)9-5-2-4-8(10)11-9/h2,4-5,13H,3,6-7H2,1H3.
What are the key properties of 3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol?
3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol has a molecular weight of 245.12 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol is sourced from PubChem (CID 145104975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).