4-bromo-5-(difluoromethyl)-6-methylpyridine-2-carbaldehyde

C8H6BrF2NO — CID 118799535

IUPAC4-bromo-5-(difluoromethyl)-6-methylpyridine-2-carbaldehyde
SMILESCc1nc(C=O)cc(Br)c1C(F)F
InChIInChI=1S/C8H6BrF2NO/c1-4-7(8(10)11)6(9)2-5(3-13)12-4/h2-3,8H,1H3
InChIKeyBEYFFHRZZWSVJY-UHFFFAOYSA-N
MW250.04 g/mol
LogP2.90
Rot. Bonds2

About 4-bromo-5-(difluoromethyl)-6-methylpyridine-2-carbaldehyde

4-bromo-5-(difluoromethyl)-6-methylpyridine-2-carbaldehyde (PubChem CID 118799535) has the molecular formula C8H6BrF2NO and a molecular weight of 250.04 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-6-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-6-methylpyridine-2-carbaldehyde
PubChem CID118799535
Molecular FormulaC8H6BrF2NO
Molecular Weight250.04 g/mol
Exact Mass248.96
IUPAC Name4-bromo-5-(difluoromethyl)-6-methylpyridine-2-carbaldehyde
SMILESCc1nc(C=O)cc(Br)c1C(F)F
InChIInChI=1S/C8H6BrF2NO/c1-4-7(8(10)11)6(9)2-5(3-13)12-4/h2-3,8H,1H3
InChIKeyBEYFFHRZZWSVJY-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-6-methylpyridine-2-carbaldehyde?
The IUPAC name of 4-bromo-5-(difluoromethyl)-6-methylpyridine-2-carbaldehyde (CID 118799535) is 4-bromo-5-(difluoromethyl)-6-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-6-methylpyridine-2-carbaldehyde?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-6-methylpyridine-2-carbaldehyde is Cc1nc(C=O)cc(Br)c1C(F)F.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-6-methylpyridine-2-carbaldehyde?
The InChIKey is BEYFFHRZZWSVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO/c1-4-7(8(10)11)6(9)2-5(3-13)12-4/h2-3,8H,1H3.
What are the key properties of 4-bromo-5-(difluoromethyl)-6-methylpyridine-2-carbaldehyde?
4-bromo-5-(difluoromethyl)-6-methylpyridine-2-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 4-bromo-5-(difluoromethyl)-6-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 118799535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).