5-(4-bromobut-1-enyl)-2-fluoropyridine-3-carbaldehyde

C10H9BrFNO — CID 170497526

IUPAC5-(4-bromobut-1-enyl)-2-fluoropyridine-3-carbaldehyde
SMILESO=Cc1cc(C=CCCBr)cnc1F
InChIInChI=1S/C10H9BrFNO/c11-4-2-1-3-8-5-9(7-14)10(12)13-6-8/h1,3,5-7H,2,4H2
InChIKeyCOBGGHXZJHVERN-UHFFFAOYSA-N
MW258.09 g/mol
LogP2.83
Rot. Bonds4

About 5-(4-bromobut-1-enyl)-2-fluoropyridine-3-carbaldehyde

5-(4-bromobut-1-enyl)-2-fluoropyridine-3-carbaldehyde (PubChem CID 170497526) has the molecular formula C10H9BrFNO and a molecular weight of 258.09 g/mol. Its IUPAC name is 5-(4-bromobut-1-enyl)-2-fluoropyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(4-bromobut-1-enyl)-2-fluoropyridine-3-carbaldehyde
PubChem CID170497526
Molecular FormulaC10H9BrFNO
Molecular Weight258.09 g/mol
Exact Mass256.99
IUPAC Name5-(4-bromobut-1-enyl)-2-fluoropyridine-3-carbaldehyde
SMILESO=Cc1cc(C=CCCBr)cnc1F
InChIInChI=1S/C10H9BrFNO/c11-4-2-1-3-8-5-9(7-14)10(12)13-6-8/h1,3,5-7H,2,4H2
InChIKeyCOBGGHXZJHVERN-UHFFFAOYSA-N
XLogP2.83
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

S-[4-(6-fluoro-5-formyl-3-pyridinyl)but-3-enyl] ethanethioate
CID 170480192
4-(4-bromobut-1-enyl)-2,5-difluorobenzaldehyde
CID 170497757
1-[(E)-4-bromobut-1-enyl]-3,5-difluorobenzene
CID 82086369
2-fluoro-5-iodopyridine-3-carbaldehyde
CID 126569658
5-(4-bromobut-1-enyl)-2-methyl-3-nitropyridine
CID 170497793
4-(4-bromobut-1-enyl)-2,6-difluorophenol
CID 170497385
4-(6-fluoro-5-methyl-3-pyridinyl)but-3-enal
CID 170481549
6-fluoro-5-formylpyridine-3-carbonitrile
CID 121380176
5-(4-bromobut-1-enyl)-2-methylpyridine
CID 79603355
3-(4-bromobut-1-enyl)-2-chloro-5-(trifluoromethyl)pyridine
CID 170498064
2-fluoro-5-(4-hydroxybut-1-enyl)benzaldehyde
CID 170476436
[5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol
CID 170497332

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromobut-1-enyl)-2-fluoropyridine-3-carbaldehyde?
The IUPAC name of 5-(4-bromobut-1-enyl)-2-fluoropyridine-3-carbaldehyde (CID 170497526) is 5-(4-bromobut-1-enyl)-2-fluoropyridine-3-carbaldehyde.
What is the SMILES notation for 5-(4-bromobut-1-enyl)-2-fluoropyridine-3-carbaldehyde?
The canonical SMILES for 5-(4-bromobut-1-enyl)-2-fluoropyridine-3-carbaldehyde is O=Cc1cc(C=CCCBr)cnc1F.
What is the InChIKey of 5-(4-bromobut-1-enyl)-2-fluoropyridine-3-carbaldehyde?
The InChIKey is COBGGHXZJHVERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO/c11-4-2-1-3-8-5-9(7-14)10(12)13-6-8/h1,3,5-7H,2,4H2.
What are the key properties of 5-(4-bromobut-1-enyl)-2-fluoropyridine-3-carbaldehyde?
5-(4-bromobut-1-enyl)-2-fluoropyridine-3-carbaldehyde has a molecular weight of 258.09 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromobut-1-enyl)-2-fluoropyridine-3-carbaldehyde is sourced from PubChem (CID 170497526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).