2-(6-bromo-2-methyl-3-pyridinyl)acetaldehyde

C8H8BrNO — CID 146273672

IUPAC2-(6-bromo-2-methyl-3-pyridinyl)acetaldehyde
SMILESCc1nc(Br)ccc1CC=O
InChIInChI=1S/C8H8BrNO/c1-6-7(4-5-11)2-3-8(9)10-6/h2-3,5H,4H2,1H3
InChIKeyPCCGANBQMHQWJV-UHFFFAOYSA-N
MW214.06 g/mol
LogP1.89
Rot. Bonds2

About 2-(6-bromo-2-methyl-3-pyridinyl)acetaldehyde

2-(6-bromo-2-methyl-3-pyridinyl)acetaldehyde (PubChem CID 146273672) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 2-(6-bromo-2-methyl-3-pyridinyl)acetaldehyde.

Molecular Properties

Compound Name2-(6-bromo-2-methyl-3-pyridinyl)acetaldehyde
PubChem CID146273672
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name2-(6-bromo-2-methyl-3-pyridinyl)acetaldehyde
SMILESCc1nc(Br)ccc1CC=O
InChIInChI=1S/C8H8BrNO/c1-6-7(4-5-11)2-3-8(9)10-6/h2-3,5H,4H2,1H3
InChIKeyPCCGANBQMHQWJV-UHFFFAOYSA-N
XLogP1.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 51.89
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-(6-bromo-2-methyl-3-pyridinyl)acetaldehyde?
The IUPAC name of 2-(6-bromo-2-methyl-3-pyridinyl)acetaldehyde (CID 146273672) is 2-(6-bromo-2-methyl-3-pyridinyl)acetaldehyde.
What is the SMILES notation for 2-(6-bromo-2-methyl-3-pyridinyl)acetaldehyde?
The canonical SMILES for 2-(6-bromo-2-methyl-3-pyridinyl)acetaldehyde is Cc1nc(Br)ccc1CC=O.
What is the InChIKey of 2-(6-bromo-2-methyl-3-pyridinyl)acetaldehyde?
The InChIKey is PCCGANBQMHQWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c1-6-7(4-5-11)2-3-8(9)10-6/h2-3,5H,4H2,1H3.
What are the key properties of 2-(6-bromo-2-methyl-3-pyridinyl)acetaldehyde?
2-(6-bromo-2-methyl-3-pyridinyl)acetaldehyde has a molecular weight of 214.06 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-methyl-3-pyridinyl)acetaldehyde is sourced from PubChem (CID 146273672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).