3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde

C8H6BrF2NO — CID 130069374

IUPAC3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde
SMILESCc1cnc(C(F)F)c(Br)c1C=O
InChIInChI=1S/C8H6BrF2NO/c1-4-2-12-7(8(10)11)6(9)5(4)3-13/h2-3,8H,1H3
InChIKeyAYQIRTUCAURAGW-UHFFFAOYSA-N
MW250.04 g/mol
LogP2.90
Rot. Bonds2

About 3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde

3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde (PubChem CID 130069374) has the molecular formula C8H6BrF2NO and a molecular weight of 250.04 g/mol. Its IUPAC name is 3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde
PubChem CID130069374
Molecular FormulaC8H6BrF2NO
Molecular Weight250.04 g/mol
Exact Mass248.96
IUPAC Name3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde
SMILESCc1cnc(C(F)F)c(Br)c1C=O
InChIInChI=1S/C8H6BrF2NO/c1-4-2-12-7(8(10)11)6(9)5(4)3-13/h2-3,8H,1H3
InChIKeyAYQIRTUCAURAGW-UHFFFAOYSA-N
XLogP2.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carbaldehyde
CID 130070863
2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde
CID 118854298
2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile
CID 130078361
4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 130088514
2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carbaldehyde
CID 118803644
2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile
CID 130069309
3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 130106112
4-amino-2-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
CID 118829242
5-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde
CID 130104885
4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 118811578
ethyl 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetate
CID 134675934
5-bromo-2-(difluoromethyl)-3-methylpyridine
CID 130095050

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde?
The IUPAC name of 3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde (CID 130069374) is 3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde.
What is the SMILES notation for 3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde?
The canonical SMILES for 3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde is Cc1cnc(C(F)F)c(Br)c1C=O.
What is the InChIKey of 3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde?
The InChIKey is AYQIRTUCAURAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO/c1-4-2-12-7(8(10)11)6(9)5(4)3-13/h2-3,8H,1H3.
What are the key properties of 3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde?
3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde has a molecular weight of 250.04 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(difluoromethyl)-5-methylpyridine-4-carbaldehyde is sourced from PubChem (CID 130069374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).