4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol

C10H15BrN2O — CID 106840570

IUPAC4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol
SMILESOCCCCNCc1cccc(Br)n1
InChIInChI=1S/C10H15BrN2O/c11-10-5-3-4-9(13-10)8-12-6-1-2-7-14/h3-5,12,14H,1-2,6-8H2
InChIKeyLENWLCGSDKFCRU-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.71
Rot. Bonds6

About 4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol

4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol (PubChem CID 106840570) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol
PubChem CID106840570
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol
SMILESOCCCCNCc1cccc(Br)n1
InChIInChI=1S/C10H15BrN2O/c11-10-5-3-4-9(13-10)8-12-6-1-2-7-14/h3-5,12,14H,1-2,6-8H2
InChIKeyLENWLCGSDKFCRU-UHFFFAOYSA-N
XLogP1.71
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine
CID 91610818
3-[(6-bromo-2-pyridinyl)methylamino]propanoic acid
CID 112581911
2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide
CID 112581934
N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 115938175
6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol
CID 107854113
5-(quinolin-2-ylmethylamino)pentan-1-ol
CID 107302820
4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol
CID 115978503
N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide
CID 112581880
3-[(6-bromo-2-pyridinyl)methylamino]-2-methylpropane-1,2-diol
CID 112582471
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 112582147
3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 114293547
N'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine
CID 57064348

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol?
The IUPAC name of 4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol (CID 106840570) is 4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol.
What is the SMILES notation for 4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol?
The canonical SMILES for 4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol is OCCCCNCc1cccc(Br)n1.
What is the InChIKey of 4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol?
The InChIKey is LENWLCGSDKFCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c11-10-5-3-4-9(13-10)8-12-6-1-2-7-14/h3-5,12,14H,1-2,6-8H2.
What are the key properties of 4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol?
4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol has a molecular weight of 259.15 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol is sourced from PubChem (CID 106840570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).