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

C9H12BrFN2O2 — CID 171891657

IUPAC1-(3-amino-6-fluoro-2-pyridinyl)-4-bromobutane-1,2-diol
SMILESNc1ccc(F)nc1C(O)C(O)CCBr
InChIInChI=1S/C9H12BrFN2O2/c10-4-3-6(14)9(15)8-5(12)1-2-7(11)13-8/h1-2,6,9,14-15H,3-4,12H2
InChIKeyRFJRBSLDXDCUIL-UHFFFAOYSA-N
MW279.11 g/mol
LogP0.98
Rot. Bonds4

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

1-(3-amino-6-fluoro-2-pyridinyl)-4-bromobutane-1,2-diol (PubChem CID 171891657) has the molecular formula C9H12BrFN2O2 and a molecular weight of 279.11 g/mol. Its IUPAC name is 1-(3-amino-6-fluoro-2-pyridinyl)-4-bromobutane-1,2-diol.

Molecular Properties

Compound Name1-(3-amino-6-fluoro-2-pyridinyl)-4-bromobutane-1,2-diol
PubChem CID171891657
Molecular FormulaC9H12BrFN2O2
Molecular Weight279.11 g/mol
Exact Mass278.01
IUPAC Name1-(3-amino-6-fluoro-2-pyridinyl)-4-bromobutane-1,2-diol
SMILESNc1ccc(F)nc1C(O)C(O)CCBr
InChIInChI=1S/C9H12BrFN2O2/c10-4-3-6(14)9(15)8-5(12)1-2-7(11)13-8/h1-2,6,9,14-15H,3-4,12H2
InChIKeyRFJRBSLDXDCUIL-UHFFFAOYSA-N
XLogP0.98
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.11
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-6-fluoro-2-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889865
4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol
CID 171891478
1-(3-amino-6-methoxy-2-pyridinyl)-3-bromopropane-1,2-diol
CID 171859985
1-(3-amino-5-fluorophenyl)-4-bromobutane-1,2-diol
CID 171891706
4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol
CID 171891582
4-bromo-1-(3-hydroxy-2-pyridinyl)butane-1,2-diol
CID 171891513
1-[2-amino-5-(trifluoromethoxy)phenyl]-4-bromobutane-1,2-diol
CID 171892933
3-amino-4-(4-bromo-1,2-dihydroxybutyl)benzoic acid
CID 171892470
4-bromo-1-(3,4-difluoro-2-methylphenyl)butane-1,2-diol
CID 171891860
4-bromo-1-(2-fluoro-5-methylphenyl)butane-1,2-diol
CID 171891545
ethyl 2-amino-5-(4-bromo-1,2-dihydroxybutyl)benzoate
CID 171892929
4-amino-1-(3-amino-5-fluoro-2-pyridinyl)butane-1,2-diol
CID 171880903

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-fluoro-2-pyridinyl)-4-bromobutane-1,2-diol?
The IUPAC name of 1-(3-amino-6-fluoro-2-pyridinyl)-4-bromobutane-1,2-diol (CID 171891657) is 1-(3-amino-6-fluoro-2-pyridinyl)-4-bromobutane-1,2-diol.
What is the SMILES notation for 1-(3-amino-6-fluoro-2-pyridinyl)-4-bromobutane-1,2-diol?
The canonical SMILES for 1-(3-amino-6-fluoro-2-pyridinyl)-4-bromobutane-1,2-diol is Nc1ccc(F)nc1C(O)C(O)CCBr.
What is the InChIKey of 1-(3-amino-6-fluoro-2-pyridinyl)-4-bromobutane-1,2-diol?
The InChIKey is RFJRBSLDXDCUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrFN2O2/c10-4-3-6(14)9(15)8-5(12)1-2-7(11)13-8/h1-2,6,9,14-15H,3-4,12H2.
What are the key properties of 1-(3-amino-6-fluoro-2-pyridinyl)-4-bromobutane-1,2-diol?
1-(3-amino-6-fluoro-2-pyridinyl)-4-bromobutane-1,2-diol has a molecular weight of 279.11 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-fluoro-2-pyridinyl)-4-bromobutane-1,2-diol is sourced from PubChem (CID 171891657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).