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

C8H12FN3O — CID 131123311

IUPAC2-amino-3-[(5-fluoro-2-pyridinyl)amino]propan-1-ol
SMILESNC(CO)CNc1ccc(F)cn1
InChIInChI=1S/C8H12FN3O/c9-6-1-2-8(11-3-6)12-4-7(10)5-13/h1-3,7,13H,4-5,10H2,(H,11,12)
InChIKeyAQCRUKOCRMCLKB-UHFFFAOYSA-N
MW185.20 g/mol
LogP-0.05
Rot. Bonds4

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

2-amino-3-[(5-fluoro-2-pyridinyl)amino]propan-1-ol (PubChem CID 131123311) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-amino-3-[(5-fluoro-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[(5-fluoro-2-pyridinyl)amino]propan-1-ol
PubChem CID131123311
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name2-amino-3-[(5-fluoro-2-pyridinyl)amino]propan-1-ol
SMILESNC(CO)CNc1ccc(F)cn1
InChIInChI=1S/C8H12FN3O/c9-6-1-2-8(11-3-6)12-4-7(10)5-13/h1-3,7,13H,4-5,10H2,(H,11,12)
InChIKeyAQCRUKOCRMCLKB-UHFFFAOYSA-N
XLogP-0.05
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(5-fluoro-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of 2-amino-3-[(5-fluoro-2-pyridinyl)amino]propan-1-ol (CID 131123311) is 2-amino-3-[(5-fluoro-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[(5-fluoro-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 2-amino-3-[(5-fluoro-2-pyridinyl)amino]propan-1-ol is NC(CO)CNc1ccc(F)cn1.
What is the InChIKey of 2-amino-3-[(5-fluoro-2-pyridinyl)amino]propan-1-ol?
The InChIKey is AQCRUKOCRMCLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c9-6-1-2-8(11-3-6)12-4-7(10)5-13/h1-3,7,13H,4-5,10H2,(H,11,12).
What are the key properties of 2-amino-3-[(5-fluoro-2-pyridinyl)amino]propan-1-ol?
2-amino-3-[(5-fluoro-2-pyridinyl)amino]propan-1-ol has a molecular weight of 185.20 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(5-fluoro-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 131123311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).