1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol

C8H12FN3O — CID 55270474

IUPAC1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol
SMILESCC(O)C(N)c1cnc(F)c(N)c1
InChIInChI=1S/C8H12FN3O/c1-4(13)7(11)5-2-6(10)8(9)12-3-5/h2-4,7,13H,10-11H2,1H3
InChIKeyYPKJQGRRHIERIA-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.18
Rot. Bonds2

About 1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol

1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol (PubChem CID 55270474) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol
PubChem CID55270474
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol
SMILESCC(O)C(N)c1cnc(F)c(N)c1
InChIInChI=1S/C8H12FN3O/c1-4(13)7(11)5-2-6(10)8(9)12-3-5/h2-4,7,13H,10-11H2,1H3
InChIKeyYPKJQGRRHIERIA-UHFFFAOYSA-N
XLogP0.18
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol?
The IUPAC name of 1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol (CID 55270474) is 1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol?
The canonical SMILES for 1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol is CC(O)C(N)c1cnc(F)c(N)c1.
What is the InChIKey of 1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol?
The InChIKey is YPKJQGRRHIERIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-4(13)7(11)5-2-6(10)8(9)12-3-5/h2-4,7,13H,10-11H2,1H3.
What are the key properties of 1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol?
1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol has a molecular weight of 185.20 g/mol, XLogP of 0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 55270474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).