5-bromopyridine-3-carbonyl chloride

C6H3BrClNO — CID 2781223

IUPAC5-bromopyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cncc(Br)c1
InChIInChI=1S/C6H3BrClNO/c7-5-1-4(6(8)10)2-9-3-5/h1-3H
InChIKeyFMDREJRIXNEGEG-UHFFFAOYSA-N
MW220.45 g/mol
LogP2.22
Rot. Bonds1

About 5-bromopyridine-3-carbonyl chloride

5-bromopyridine-3-carbonyl chloride (PubChem CID 2781223) has the molecular formula C6H3BrClNO and a molecular weight of 220.45 g/mol. Its IUPAC name is 5-bromopyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-bromopyridine-3-carbonyl chloride
PubChem CID2781223
Molecular FormulaC6H3BrClNO
Molecular Weight220.45 g/mol
Exact Mass218.91
IUPAC Name5-bromopyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cncc(Br)c1
InChIInChI=1S/C6H3BrClNO/c7-5-1-4(6(8)10)2-9-3-5/h1-3H
InChIKeyFMDREJRIXNEGEG-UHFFFAOYSA-N
XLogP2.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.45
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromopyridine-3-carbonyl chloride?
The IUPAC name of 5-bromopyridine-3-carbonyl chloride (CID 2781223) is 5-bromopyridine-3-carbonyl chloride.
What is the SMILES notation for 5-bromopyridine-3-carbonyl chloride?
The canonical SMILES for 5-bromopyridine-3-carbonyl chloride is O=C(Cl)c1cncc(Br)c1.
What is the InChIKey of 5-bromopyridine-3-carbonyl chloride?
The InChIKey is FMDREJRIXNEGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClNO/c7-5-1-4(6(8)10)2-9-3-5/h1-3H.
What are the key properties of 5-bromopyridine-3-carbonyl chloride?
5-bromopyridine-3-carbonyl chloride has a molecular weight of 220.45 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridine-3-carbonyl chloride is sourced from PubChem (CID 2781223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).