1-(3,5-dibromo-4-pyridinyl)propane-1,2,3-triol

C8H9Br2NO3 — CID 170819235

IUPAC1-(3,5-dibromo-4-pyridinyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1c(Br)cncc1Br
InChIInChI=1S/C8H9Br2NO3/c9-4-1-11-2-5(10)7(4)8(14)6(13)3-12/h1-2,6,8,12-14H,3H2
InChIKeySPVFTCRQCFZBOS-UHFFFAOYSA-N
MW326.97 g/mol
LogP0.99
Rot. Bonds3

About 1-(3,5-dibromo-4-pyridinyl)propane-1,2,3-triol

1-(3,5-dibromo-4-pyridinyl)propane-1,2,3-triol (PubChem CID 170819235) has the molecular formula C8H9Br2NO3 and a molecular weight of 326.97 g/mol. Its IUPAC name is 1-(3,5-dibromo-4-pyridinyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(3,5-dibromo-4-pyridinyl)propane-1,2,3-triol
PubChem CID170819235
Molecular FormulaC8H9Br2NO3
Molecular Weight326.97 g/mol
Exact Mass324.89
IUPAC Name1-(3,5-dibromo-4-pyridinyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1c(Br)cncc1Br
InChIInChI=1S/C8H9Br2NO3/c9-4-1-11-2-5(10)7(4)8(14)6(13)3-12/h1-2,6,8,12-14H,3H2
InChIKeySPVFTCRQCFZBOS-UHFFFAOYSA-N
XLogP0.99
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.97
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-4-pyridinyl)propane-1,2,3-triol?
The IUPAC name of 1-(3,5-dibromo-4-pyridinyl)propane-1,2,3-triol (CID 170819235) is 1-(3,5-dibromo-4-pyridinyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(3,5-dibromo-4-pyridinyl)propane-1,2,3-triol?
The canonical SMILES for 1-(3,5-dibromo-4-pyridinyl)propane-1,2,3-triol is OCC(O)C(O)c1c(Br)cncc1Br.
What is the InChIKey of 1-(3,5-dibromo-4-pyridinyl)propane-1,2,3-triol?
The InChIKey is SPVFTCRQCFZBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NO3/c9-4-1-11-2-5(10)7(4)8(14)6(13)3-12/h1-2,6,8,12-14H,3H2.
What are the key properties of 1-(3,5-dibromo-4-pyridinyl)propane-1,2,3-triol?
1-(3,5-dibromo-4-pyridinyl)propane-1,2,3-triol has a molecular weight of 326.97 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-4-pyridinyl)propane-1,2,3-triol is sourced from PubChem (CID 170819235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).