5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol

C10H15BrN2O — CID 106128835

IUPAC5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol
SMILESCC(O)CCCNc1ncccc1Br
InChIInChI=1S/C10H15BrN2O/c1-8(14)4-2-6-12-10-9(11)5-3-7-13-10/h3,5,7-8,14H,2,4,6H2,1H3,(H,12,13)
InChIKeyUBPYEUSIDFKZTP-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.42
Rot. Bonds5

About 5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol

5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol (PubChem CID 106128835) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol
PubChem CID106128835
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol
SMILESCC(O)CCCNc1ncccc1Br
InChIInChI=1S/C10H15BrN2O/c1-8(14)4-2-6-12-10-9(11)5-3-7-13-10/h3,5,7-8,14H,2,4,6H2,1H3,(H,12,13)
InChIKeyUBPYEUSIDFKZTP-UHFFFAOYSA-N
XLogP2.42
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 106128585
3-bromo-N-(3-chloropropyl)pyridin-2-amine
CID 65029830
5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106129032
3-bromo-N-(4-chlorobutyl)pyridin-2-amine
CID 86240809
2-[(3-bromo-2-pyridinyl)amino]ethanol
CID 61374645
5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol
CID 106129002
N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine
CID 107845203
N-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62642737
(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol
CID 86323908
ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
CID 107269211
3-bromo-N-(2,3-dimethylbutyl)pyridin-2-amine
CID 64599178
N-[2-[(3-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61373352

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol?
The IUPAC name of 5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol (CID 106128835) is 5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol?
The canonical SMILES for 5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol is CC(O)CCCNc1ncccc1Br.
What is the InChIKey of 5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol?
The InChIKey is UBPYEUSIDFKZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-8(14)4-2-6-12-10-9(11)5-3-7-13-10/h3,5,7-8,14H,2,4,6H2,1H3,(H,12,13).
What are the key properties of 5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol?
5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol has a molecular weight of 259.15 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol is sourced from PubChem (CID 106128835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).