3-bromo-2-fluoropyridine-4-carbaldehyde;methanol

C7H7BrFNO2 — CID 144871989

IUPAC3-bromo-2-fluoropyridine-4-carbaldehyde;methanol
SMILESCO.O=Cc1ccnc(F)c1Br
InChIInChI=1S/C6H3BrFNO.CH4O/c7-5-4(3-10)1-2-9-6(5)8;1-2/h1-3H;2H,1H3
InChIKeyYRACBPXULUYTEU-UHFFFAOYSA-N
MW236.04 g/mol
LogP1.40
Rot. Bonds1

About 3-bromo-2-fluoropyridine-4-carbaldehyde;methanol

3-bromo-2-fluoropyridine-4-carbaldehyde;methanol (PubChem CID 144871989) has the molecular formula C7H7BrFNO2 and a molecular weight of 236.04 g/mol. Its IUPAC name is 3-bromo-2-fluoropyridine-4-carbaldehyde;methanol.

Molecular Properties

Compound Name3-bromo-2-fluoropyridine-4-carbaldehyde;methanol
PubChem CID144871989
Molecular FormulaC7H7BrFNO2
Molecular Weight236.04 g/mol
Exact Mass234.96
IUPAC Name3-bromo-2-fluoropyridine-4-carbaldehyde;methanol
SMILESCO.O=Cc1ccnc(F)c1Br
InChIInChI=1S/C6H3BrFNO.CH4O/c7-5-4(3-10)1-2-9-6(5)8;1-2/h1-3H;2H,1H3
InChIKeyYRACBPXULUYTEU-UHFFFAOYSA-N
XLogP1.40
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.04
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoropyridine-4-carbaldehyde;methanol?
The IUPAC name of 3-bromo-2-fluoropyridine-4-carbaldehyde;methanol (CID 144871989) is 3-bromo-2-fluoropyridine-4-carbaldehyde;methanol.
What is the SMILES notation for 3-bromo-2-fluoropyridine-4-carbaldehyde;methanol?
The canonical SMILES for 3-bromo-2-fluoropyridine-4-carbaldehyde;methanol is CO.O=Cc1ccnc(F)c1Br.
What is the InChIKey of 3-bromo-2-fluoropyridine-4-carbaldehyde;methanol?
The InChIKey is YRACBPXULUYTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrFNO.CH4O/c7-5-4(3-10)1-2-9-6(5)8;1-2/h1-3H;2H,1H3.
What are the key properties of 3-bromo-2-fluoropyridine-4-carbaldehyde;methanol?
3-bromo-2-fluoropyridine-4-carbaldehyde;methanol has a molecular weight of 236.04 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoropyridine-4-carbaldehyde;methanol is sourced from PubChem (CID 144871989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).