3-amino-6-(2-bromo-1-hydroxyethyl)-4-fluoropyridine-2-carbonitrile

C8H7BrFN3O — CID 19851904

IUPAC3-amino-6-(2-bromo-1-hydroxyethyl)-4-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(C(O)CBr)cc(F)c1N
InChIInChI=1S/C8H7BrFN3O/c9-2-7(14)5-1-4(10)8(12)6(3-11)13-5/h1,7,14H,2,12H2
InChIKeyKOTNEYWIEQGYQA-UHFFFAOYSA-N
MW260.07 g/mol
LogP1.10
Rot. Bonds2

About 3-amino-6-(2-bromo-1-hydroxyethyl)-4-fluoropyridine-2-carbonitrile

3-amino-6-(2-bromo-1-hydroxyethyl)-4-fluoropyridine-2-carbonitrile (PubChem CID 19851904) has the molecular formula C8H7BrFN3O and a molecular weight of 260.07 g/mol. Its IUPAC name is 3-amino-6-(2-bromo-1-hydroxyethyl)-4-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(2-bromo-1-hydroxyethyl)-4-fluoropyridine-2-carbonitrile
PubChem CID19851904
Molecular FormulaC8H7BrFN3O
Molecular Weight260.07 g/mol
Exact Mass258.98
IUPAC Name3-amino-6-(2-bromo-1-hydroxyethyl)-4-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(C(O)CBr)cc(F)c1N
InChIInChI=1S/C8H7BrFN3O/c9-2-7(14)5-1-4(10)8(12)6(3-11)13-5/h1,7,14H,2,12H2
InChIKeyKOTNEYWIEQGYQA-UHFFFAOYSA-N
XLogP1.10
TPSA82.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.07
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 130132634
CID 130132634
CID 155163973
CID 155163973
CID 130078892
CID 130078892
CID 130078896
CID 130078896
CID 130078911
CID 130078911
CID 130078922
CID 130078922
CID 130078929
CID 130078929
CID 130078934
CID 130078934
CID 130102053
CID 130102053
CID 130102056
CID 130102056
CID 130102059
CID 130102059
CID 130103571
CID 130103571

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-bromo-1-hydroxyethyl)-4-fluoropyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(2-bromo-1-hydroxyethyl)-4-fluoropyridine-2-carbonitrile (CID 19851904) is 3-amino-6-(2-bromo-1-hydroxyethyl)-4-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(2-bromo-1-hydroxyethyl)-4-fluoropyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(2-bromo-1-hydroxyethyl)-4-fluoropyridine-2-carbonitrile is N#Cc1nc(C(O)CBr)cc(F)c1N.
What is the InChIKey of 3-amino-6-(2-bromo-1-hydroxyethyl)-4-fluoropyridine-2-carbonitrile?
The InChIKey is KOTNEYWIEQGYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFN3O/c9-2-7(14)5-1-4(10)8(12)6(3-11)13-5/h1,7,14H,2,12H2.
What are the key properties of 3-amino-6-(2-bromo-1-hydroxyethyl)-4-fluoropyridine-2-carbonitrile?
3-amino-6-(2-bromo-1-hydroxyethyl)-4-fluoropyridine-2-carbonitrile has a molecular weight of 260.07 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-bromo-1-hydroxyethyl)-4-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 19851904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).