6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde

C8H5BrF3NO — CID 130081877

IUPAC6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(F)c(CBr)n1
InChIInChI=1S/C8H5BrF3NO/c9-2-6-7(10)5(8(11)12)1-4(3-14)13-6/h1,3,8H,2H2
InChIKeyDYWOIDVLNXWELA-UHFFFAOYSA-N
MW268.03 g/mol
LogP2.87
Rot. Bonds3

About 6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde

6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde (PubChem CID 130081877) has the molecular formula C8H5BrF3NO and a molecular weight of 268.03 g/mol. Its IUPAC name is 6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
PubChem CID130081877
Molecular FormulaC8H5BrF3NO
Molecular Weight268.03 g/mol
Exact Mass266.95
IUPAC Name6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(F)c(CBr)n1
InChIInChI=1S/C8H5BrF3NO/c9-2-6-7(10)5(8(11)12)1-4(3-14)13-6/h1,3,8H,2H2
InChIKeyDYWOIDVLNXWELA-UHFFFAOYSA-N
XLogP2.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.03
LogP ≤ 52.87
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-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 130109492
6-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118838186
5-amino-6-bromo-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102081
2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
CID 118844032
2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118804599
4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118812828
6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118819890
6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 118831095
5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075269
2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol
CID 130082625
3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine
CID 130109497
6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 119019596

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde?
The IUPAC name of 6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde (CID 130081877) is 6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde.
What is the SMILES notation for 6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde?
The canonical SMILES for 6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde is O=Cc1cc(C(F)F)c(F)c(CBr)n1.
What is the InChIKey of 6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde?
The InChIKey is DYWOIDVLNXWELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO/c9-2-6-7(10)5(8(11)12)1-4(3-14)13-6/h1,3,8H,2H2.
What are the key properties of 6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde?
6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde has a molecular weight of 268.03 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde is sourced from PubChem (CID 130081877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).