2-bromo-3-fluoro-6-methylpyridine-4-carbaldehyde

C7H5BrFNO — CID 118454945

IUPAC2-bromo-3-fluoro-6-methylpyridine-4-carbaldehyde
SMILESCc1cc(C=O)c(F)c(Br)n1
InChIInChI=1S/C7H5BrFNO/c1-4-2-5(3-11)6(9)7(8)10-4/h2-3H,1H3
InChIKeyJRZJFEQKCBDLMY-UHFFFAOYSA-N
MW218.02 g/mol
LogP2.10
Rot. Bonds1

About 2-bromo-3-fluoro-6-methylpyridine-4-carbaldehyde

2-bromo-3-fluoro-6-methylpyridine-4-carbaldehyde (PubChem CID 118454945) has the molecular formula C7H5BrFNO and a molecular weight of 218.02 g/mol. Its IUPAC name is 2-bromo-3-fluoro-6-methylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-bromo-3-fluoro-6-methylpyridine-4-carbaldehyde
PubChem CID118454945
Molecular FormulaC7H5BrFNO
Molecular Weight218.02 g/mol
Exact Mass216.95
IUPAC Name2-bromo-3-fluoro-6-methylpyridine-4-carbaldehyde
SMILESCc1cc(C=O)c(F)c(Br)n1
InChIInChI=1S/C7H5BrFNO/c1-4-2-5(3-11)6(9)7(8)10-4/h2-3H,1H3
InChIKeyJRZJFEQKCBDLMY-UHFFFAOYSA-N
XLogP2.10
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.02
LogP ≤ 52.10
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-bromo-3-fluoro-6-methylpyridine-4-carbaldehyde?
The IUPAC name of 2-bromo-3-fluoro-6-methylpyridine-4-carbaldehyde (CID 118454945) is 2-bromo-3-fluoro-6-methylpyridine-4-carbaldehyde.
What is the SMILES notation for 2-bromo-3-fluoro-6-methylpyridine-4-carbaldehyde?
The canonical SMILES for 2-bromo-3-fluoro-6-methylpyridine-4-carbaldehyde is Cc1cc(C=O)c(F)c(Br)n1.
What is the InChIKey of 2-bromo-3-fluoro-6-methylpyridine-4-carbaldehyde?
The InChIKey is JRZJFEQKCBDLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO/c1-4-2-5(3-11)6(9)7(8)10-4/h2-3H,1H3.
What are the key properties of 2-bromo-3-fluoro-6-methylpyridine-4-carbaldehyde?
2-bromo-3-fluoro-6-methylpyridine-4-carbaldehyde has a molecular weight of 218.02 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-6-methylpyridine-4-carbaldehyde is sourced from PubChem (CID 118454945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).