1-[(5-bromo-3-pyridinyl)amino]pentan-2-ol

C10H15BrN2O — CID 71996476

IUPAC1-[(5-bromo-3-pyridinyl)amino]pentan-2-ol
SMILESCCCC(O)CNc1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O/c1-2-3-10(14)7-13-9-4-8(11)5-12-6-9/h4-6,10,13-14H,2-3,7H2,1H3
InChIKeySSTBRKBCBIDKMY-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.42
Rot. Bonds5

About 1-[(5-bromo-3-pyridinyl)amino]pentan-2-ol

1-[(5-bromo-3-pyridinyl)amino]pentan-2-ol (PubChem CID 71996476) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)amino]pentan-2-ol
PubChem CID71996476
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name1-[(5-bromo-3-pyridinyl)amino]pentan-2-ol
SMILESCCCC(O)CNc1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O/c1-2-3-10(14)7-13-9-4-8(11)5-12-6-9/h4-6,10,13-14H,2-3,7H2,1H3
InChIKeySSTBRKBCBIDKMY-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)amino]pentan-2-ol?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)amino]pentan-2-ol (CID 71996476) is 1-[(5-bromo-3-pyridinyl)amino]pentan-2-ol.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)amino]pentan-2-ol?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)amino]pentan-2-ol is CCCC(O)CNc1cncc(Br)c1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)amino]pentan-2-ol?
The InChIKey is SSTBRKBCBIDKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-2-3-10(14)7-13-9-4-8(11)5-12-6-9/h4-6,10,13-14H,2-3,7H2,1H3.
What are the key properties of 1-[(5-bromo-3-pyridinyl)amino]pentan-2-ol?
1-[(5-bromo-3-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 1-[(5-bromo-3-pyridinyl)amino]pentan-2-ol is sourced from PubChem (CID 71996476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).