3-[(6-bromo-2-pyridinyl)amino]pentan-2-ol

C10H15BrN2O — CID 130878127

IUPAC3-[(6-bromo-2-pyridinyl)amino]pentan-2-ol
SMILESCCC(Nc1cccc(Br)n1)C(C)O
InChIInChI=1S/C10H15BrN2O/c1-3-8(7(2)14)12-10-6-4-5-9(11)13-10/h4-8,14H,3H2,1-2H3,(H,12,13)
InChIKeyPASOHTDVKDPLLU-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.42
Rot. Bonds4

About 3-[(6-bromo-2-pyridinyl)amino]pentan-2-ol

3-[(6-bromo-2-pyridinyl)amino]pentan-2-ol (PubChem CID 130878127) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 3-[(6-bromo-2-pyridinyl)amino]pentan-2-ol.

Molecular Properties

Compound Name3-[(6-bromo-2-pyridinyl)amino]pentan-2-ol
PubChem CID130878127
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name3-[(6-bromo-2-pyridinyl)amino]pentan-2-ol
SMILESCCC(Nc1cccc(Br)n1)C(C)O
InChIInChI=1S/C10H15BrN2O/c1-3-8(7(2)14)12-10-6-4-5-9(11)13-10/h4-8,14H,3H2,1-2H3,(H,12,13)
InChIKeyPASOHTDVKDPLLU-UHFFFAOYSA-N
XLogP2.42
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 63961953
2-[(6-bromo-2-pyridinyl)amino]-3-methylbutanamide
CID 106346848
2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 63962390
6-bromo-N-(1,1-difluoropropan-2-yl)pyridin-2-amine
CID 130774419
1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107154989
N-(6-bromo-2-pyridinyl)propanamide
CID 43520454
6-bromo-N-hex-1-yn-3-ylpyridin-2-amine
CID 106232839
(1S)-1-(6-bromo-2-pyridinyl)propan-1-ol
CID 124585075
N-(6-bromo-2-pyridinyl)-2-methylpentanamide
CID 43520555
2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride
CID 126623961
6-bromo-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 63961100
1,2-bis(6-bromo-2-pyridinyl)hydrazine
CID 167065966

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-2-pyridinyl)amino]pentan-2-ol?
The IUPAC name of 3-[(6-bromo-2-pyridinyl)amino]pentan-2-ol (CID 130878127) is 3-[(6-bromo-2-pyridinyl)amino]pentan-2-ol.
What is the SMILES notation for 3-[(6-bromo-2-pyridinyl)amino]pentan-2-ol?
The canonical SMILES for 3-[(6-bromo-2-pyridinyl)amino]pentan-2-ol is CCC(Nc1cccc(Br)n1)C(C)O.
What is the InChIKey of 3-[(6-bromo-2-pyridinyl)amino]pentan-2-ol?
The InChIKey is PASOHTDVKDPLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-3-8(7(2)14)12-10-6-4-5-9(11)13-10/h4-8,14H,3H2,1-2H3,(H,12,13).
What are the key properties of 3-[(6-bromo-2-pyridinyl)amino]pentan-2-ol?
3-[(6-bromo-2-pyridinyl)amino]pentan-2-ol has a molecular weight of 259.15 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-2-pyridinyl)amino]pentan-2-ol is sourced from PubChem (CID 130878127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).