2-bromopyridine-3-carbaldehyde

C6H4BrNO — CID 4714951

IUPAC2-bromopyridine-3-carbaldehyde
SMILESO=Cc1cccnc1Br
InChIInChI=1S/C6H4BrNO/c7-6-5(4-9)2-1-3-8-6/h1-4H
InChIKeyGNFWMEFWZWXLIN-UHFFFAOYSA-N
MW186.01 g/mol
LogP1.66
Rot. Bonds1

About 2-bromopyridine-3-carbaldehyde

2-bromopyridine-3-carbaldehyde (PubChem CID 4714951) has the molecular formula C6H4BrNO and a molecular weight of 186.01 g/mol. Its IUPAC name is 2-bromopyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-bromopyridine-3-carbaldehyde
PubChem CID4714951
Molecular FormulaC6H4BrNO
Molecular Weight186.01 g/mol
Exact Mass184.95
IUPAC Name2-bromopyridine-3-carbaldehyde
SMILESO=Cc1cccnc1Br
InChIInChI=1S/C6H4BrNO/c7-6-5(4-9)2-1-3-8-6/h1-4H
InChIKeyGNFWMEFWZWXLIN-UHFFFAOYSA-N
XLogP1.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.01
LogP ≤ 51.66
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromopyridine-3-carbaldehyde?
The IUPAC name of 2-bromopyridine-3-carbaldehyde (CID 4714951) is 2-bromopyridine-3-carbaldehyde.
What is the SMILES notation for 2-bromopyridine-3-carbaldehyde?
The canonical SMILES for 2-bromopyridine-3-carbaldehyde is O=Cc1cccnc1Br.
What is the InChIKey of 2-bromopyridine-3-carbaldehyde?
The InChIKey is GNFWMEFWZWXLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrNO/c7-6-5(4-9)2-1-3-8-6/h1-4H.
What are the key properties of 2-bromopyridine-3-carbaldehyde?
2-bromopyridine-3-carbaldehyde has a molecular weight of 186.01 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyridine-3-carbaldehyde is sourced from PubChem (CID 4714951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).