3-[(5-bromo-3-fluoro-2-pyridinyl)amino]propane-1,2-diol

C8H10BrFN2O2 — CID 102677536

IUPAC3-[(5-bromo-3-fluoro-2-pyridinyl)amino]propane-1,2-diol
SMILESOCC(O)CNc1ncc(Br)cc1F
InChIInChI=1S/C8H10BrFN2O2/c9-5-1-7(10)8(11-2-5)12-3-6(14)4-13/h1-2,6,13-14H,3-4H2,(H,11,12)
InChIKeyYDTVCSXLAKTFGX-UHFFFAOYSA-N
MW265.08 g/mol
LogP0.75
Rot. Bonds4

About 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]propane-1,2-diol

3-[(5-bromo-3-fluoro-2-pyridinyl)amino]propane-1,2-diol (PubChem CID 102677536) has the molecular formula C8H10BrFN2O2 and a molecular weight of 265.08 g/mol. Its IUPAC name is 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(5-bromo-3-fluoro-2-pyridinyl)amino]propane-1,2-diol
PubChem CID102677536
Molecular FormulaC8H10BrFN2O2
Molecular Weight265.08 g/mol
Exact Mass263.99
IUPAC Name3-[(5-bromo-3-fluoro-2-pyridinyl)amino]propane-1,2-diol
SMILESOCC(O)CNc1ncc(Br)cc1F
InChIInChI=1S/C8H10BrFN2O2/c9-5-1-7(10)8(11-2-5)12-3-6(14)4-13/h1-2,6,13-14H,3-4H2,(H,11,12)
InChIKeyYDTVCSXLAKTFGX-UHFFFAOYSA-N
XLogP0.75
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.08
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]propane-1,2-diol?
The IUPAC name of 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]propane-1,2-diol (CID 102677536) is 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]propane-1,2-diol is OCC(O)CNc1ncc(Br)cc1F.
What is the InChIKey of 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]propane-1,2-diol?
The InChIKey is YDTVCSXLAKTFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2O2/c9-5-1-7(10)8(11-2-5)12-3-6(14)4-13/h1-2,6,13-14H,3-4H2,(H,11,12).
What are the key properties of 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]propane-1,2-diol?
3-[(5-bromo-3-fluoro-2-pyridinyl)amino]propane-1,2-diol has a molecular weight of 265.08 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-fluoro-2-pyridinyl)amino]propane-1,2-diol is sourced from PubChem (CID 102677536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).