2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde

C9H8BrF2NO — CID 118844032

IUPAC2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
SMILESCc1nc(CBr)c(C=O)cc1C(F)F
InChIInChI=1S/C9H8BrF2NO/c1-5-7(9(11)12)2-6(4-14)8(3-10)13-5/h2,4,9H,3H2,1H3
InChIKeyRMBGPLMCQAVOQG-UHFFFAOYSA-N
MW264.07 g/mol
LogP3.04
Rot. Bonds3

About 2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde

2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde (PubChem CID 118844032) has the molecular formula C9H8BrF2NO and a molecular weight of 264.07 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
PubChem CID118844032
Molecular FormulaC9H8BrF2NO
Molecular Weight264.07 g/mol
Exact Mass262.98
IUPAC Name2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
SMILESCc1nc(CBr)c(C=O)cc1C(F)F
InChIInChI=1S/C9H8BrF2NO/c1-5-7(9(11)12)2-6(4-14)8(3-10)13-5/h2,4,9H,3H2,1H3
InChIKeyRMBGPLMCQAVOQG-UHFFFAOYSA-N
XLogP3.04
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
CID 118825784
5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde
CID 130101411
2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118804599
2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile
CID 118815705
6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
CID 130081877
2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde
CID 118810017
6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118820202
6-(bromomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130084830
4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde
CID 130090124
5-(difluoromethyl)-2-methylpyridine-4-carbaldehyde
CID 130097731
2-(bromomethyl)-6-chloro-4-(difluoromethyl)-3-methylpyridine
CID 130074151
6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine
CID 130106324

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde?
The IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde (CID 118844032) is 2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde?
The canonical SMILES for 2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde is Cc1nc(CBr)c(C=O)cc1C(F)F.
What is the InChIKey of 2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde?
The InChIKey is RMBGPLMCQAVOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO/c1-5-7(9(11)12)2-6(4-14)8(3-10)13-5/h2,4,9H,3H2,1H3.
What are the key properties of 2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde?
2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde has a molecular weight of 264.07 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 118844032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).