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

C9H8BrF2NO — CID 130090124

IUPAC4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde
SMILESCc1nc(C(F)F)cc(CBr)c1C=O
InChIInChI=1S/C9H8BrF2NO/c1-5-7(4-14)6(3-10)2-8(13-5)9(11)12/h2,4,9H,3H2,1H3
InChIKeyKVAQOPQOCYXLPY-UHFFFAOYSA-N
MW264.07 g/mol
LogP3.04
Rot. Bonds3

About 4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde

4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde (PubChem CID 130090124) has the molecular formula C9H8BrF2NO and a molecular weight of 264.07 g/mol. Its IUPAC name is 4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde
PubChem CID130090124
Molecular FormulaC9H8BrF2NO
Molecular Weight264.07 g/mol
Exact Mass262.98
IUPAC Name4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde
SMILESCc1nc(C(F)F)cc(CBr)c1C=O
InChIInChI=1S/C9H8BrF2NO/c1-5-7(4-14)6(3-10)2-8(13-5)9(11)12/h2,4,9H,3H2,1H3
InChIKeyKVAQOPQOCYXLPY-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

6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde
CID 130088296
6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde
CID 130083899
ethyl 2-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-3-carboxylate
CID 134662497
[2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol
CID 118843989
2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
CID 119003621
6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
CID 130081885
[6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine
CID 118852482
3-(bromomethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130098184
[6-(difluoromethyl)-3-fluoro-2-methyl-4-pyridinyl]methanamine
CID 118834888
4-(bromomethyl)-6-(difluoromethyl)-3-fluoropyridin-2-amine
CID 118999277
2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde
CID 118810017
2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
CID 118844032

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde?
The IUPAC name of 4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde (CID 130090124) is 4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde?
The canonical SMILES for 4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde is Cc1nc(C(F)F)cc(CBr)c1C=O.
What is the InChIKey of 4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde?
The InChIKey is KVAQOPQOCYXLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO/c1-5-7(4-14)6(3-10)2-8(13-5)9(11)12/h2,4,9H,3H2,1H3.
What are the key properties of 4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde?
4-(bromomethyl)-6-(difluoromethyl)-2-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 4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 130090124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).