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

C9H13BrN2O2 — CID 71996439

IUPAC1-[(5-bromo-3-pyridinyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1cncc(Br)c1
InChIInChI=1S/C9H13BrN2O2/c1-14-6-9(13)5-12-8-2-7(10)3-11-4-8/h2-4,9,12-13H,5-6H2,1H3
InChIKeyKDJMSONPQYSDGK-UHFFFAOYSA-N
MW261.12 g/mol
LogP1.26
Rot. Bonds5

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

1-[(5-bromo-3-pyridinyl)amino]-3-methoxypropan-2-ol (PubChem CID 71996439) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)amino]-3-methoxypropan-2-ol
PubChem CID71996439
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name1-[(5-bromo-3-pyridinyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1cncc(Br)c1
InChIInChI=1S/C9H13BrN2O2/c1-14-6-9(13)5-12-8-2-7(10)3-11-4-8/h2-4,9,12-13H,5-6H2,1H3
InChIKeyKDJMSONPQYSDGK-UHFFFAOYSA-N
XLogP1.26
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)amino]-3-methoxypropan-2-ol (CID 71996439) is 1-[(5-bromo-3-pyridinyl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)amino]-3-methoxypropan-2-ol is COCC(O)CNc1cncc(Br)c1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)amino]-3-methoxypropan-2-ol?
The InChIKey is KDJMSONPQYSDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-14-6-9(13)5-12-8-2-7(10)3-11-4-8/h2-4,9,12-13H,5-6H2,1H3.
What are the key properties of 1-[(5-bromo-3-pyridinyl)amino]-3-methoxypropan-2-ol?
1-[(5-bromo-3-pyridinyl)amino]-3-methoxypropan-2-ol has a molecular weight of 261.12 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 71996439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).