1-(3-amino-6-fluoro-2-pyridinyl)-4-(methylamino)butane-1,2-diol

C10H16FN3O2 — CID 171889865

IUPAC1-(3-amino-6-fluoro-2-pyridinyl)-4-(methylamino)butane-1,2-diol
SMILESCNCCC(O)C(O)c1nc(F)ccc1N
InChIInChI=1S/C10H16FN3O2/c1-13-5-4-7(15)10(16)9-6(12)2-3-8(11)14-9/h2-3,7,10,13,15-16H,4-5,12H2,1H3
InChIKeyPFRMELGRJHVCBI-UHFFFAOYSA-N
MW229.25 g/mol
LogP-0.19
Rot. Bonds5

About 1-(3-amino-6-fluoro-2-pyridinyl)-4-(methylamino)butane-1,2-diol

1-(3-amino-6-fluoro-2-pyridinyl)-4-(methylamino)butane-1,2-diol (PubChem CID 171889865) has the molecular formula C10H16FN3O2 and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-(3-amino-6-fluoro-2-pyridinyl)-4-(methylamino)butane-1,2-diol.

Molecular Properties

Compound Name1-(3-amino-6-fluoro-2-pyridinyl)-4-(methylamino)butane-1,2-diol
PubChem CID171889865
Molecular FormulaC10H16FN3O2
Molecular Weight229.25 g/mol
Exact Mass229.12
IUPAC Name1-(3-amino-6-fluoro-2-pyridinyl)-4-(methylamino)butane-1,2-diol
SMILESCNCCC(O)C(O)c1nc(F)ccc1N
InChIInChI=1S/C10H16FN3O2/c1-13-5-4-7(15)10(16)9-6(12)2-3-8(11)14-9/h2-3,7,10,13,15-16H,4-5,12H2,1H3
InChIKeyPFRMELGRJHVCBI-UHFFFAOYSA-N
XLogP-0.19
TPSA91.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-6-fluoro-2-pyridinyl)-4-bromobutane-1,2-diol
CID 171891657
1-(4-amino-2,3-difluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171890299
1-[2-amino-5-(trifluoromethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890868
1-isoquinolin-1-yl-4-(methylamino)butane-1,2-diol
CID 171890434
1-(3-amino-6-methoxy-2-pyridinyl)-3-(methylamino)propane-1,2-diol
CID 171857956
1-(4-fluoro-3,5-dimethylphenyl)-4-(methylamino)butane-1,2-diol
CID 171890049
1-(3,4-diamino-5-methylphenyl)-4-(methylamino)butane-1,2-diol
CID 171890195
1-(2-fluoro-4-methylphenyl)-4-(methylamino)butane-1,2-diol
CID 171889755
1-(2-fluoro-5-methylphenyl)-4-(methylamino)butane-1,2-diol
CID 171889753
4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol
CID 171890989
1-[2-amino-4-(trifluoromethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890869
1-(2,6-dimethylphenyl)-4-(methylamino)butane-1,2-diol
CID 171889774

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-fluoro-2-pyridinyl)-4-(methylamino)butane-1,2-diol?
The IUPAC name of 1-(3-amino-6-fluoro-2-pyridinyl)-4-(methylamino)butane-1,2-diol (CID 171889865) is 1-(3-amino-6-fluoro-2-pyridinyl)-4-(methylamino)butane-1,2-diol.
What is the SMILES notation for 1-(3-amino-6-fluoro-2-pyridinyl)-4-(methylamino)butane-1,2-diol?
The canonical SMILES for 1-(3-amino-6-fluoro-2-pyridinyl)-4-(methylamino)butane-1,2-diol is CNCCC(O)C(O)c1nc(F)ccc1N.
What is the InChIKey of 1-(3-amino-6-fluoro-2-pyridinyl)-4-(methylamino)butane-1,2-diol?
The InChIKey is PFRMELGRJHVCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2/c1-13-5-4-7(15)10(16)9-6(12)2-3-8(11)14-9/h2-3,7,10,13,15-16H,4-5,12H2,1H3.
What are the key properties of 1-(3-amino-6-fluoro-2-pyridinyl)-4-(methylamino)butane-1,2-diol?
1-(3-amino-6-fluoro-2-pyridinyl)-4-(methylamino)butane-1,2-diol has a molecular weight of 229.25 g/mol, XLogP of -0.19, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-fluoro-2-pyridinyl)-4-(methylamino)butane-1,2-diol is sourced from PubChem (CID 171889865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).