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

C8H5BrF3NO — CID 130081885

IUPAC6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
SMILESO=Cc1c(F)cc(CBr)nc1C(F)F
InChIInChI=1S/C8H5BrF3NO/c9-2-4-1-6(10)5(3-14)7(13-4)8(11)12/h1,3,8H,2H2
InChIKeyUQEXMQMLMRDPDY-UHFFFAOYSA-N
MW268.03 g/mol
LogP2.87
Rot. Bonds3

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

6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde (PubChem CID 130081885) has the molecular formula C8H5BrF3NO and a molecular weight of 268.03 g/mol. Its IUPAC name is 6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
PubChem CID130081885
Molecular FormulaC8H5BrF3NO
Molecular Weight268.03 g/mol
Exact Mass266.95
IUPAC Name6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
SMILESO=Cc1c(F)cc(CBr)nc1C(F)F
InChIInChI=1S/C8H5BrF3NO/c9-2-4-1-6(10)5(3-14)7(13-4)8(11)12/h1,3,8H,2H2
InChIKeyUQEXMQMLMRDPDY-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

2-(difluoromethyl)-4-fluoro-6-methylpyridine-3-carbaldehyde
CID 118820382
6-(bromomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130081881
[6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
CID 130081832
2-[6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetic acid
CID 130082055
6-(aminomethyl)-4-chloro-2-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075022
6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine
CID 130106838
4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde
CID 118812768
6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine
CID 130080615
6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080004
4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde
CID 130090124
6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine
CID 130099800
6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine
CID 130074144

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde?
The IUPAC name of 6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde (CID 130081885) is 6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde.
What is the SMILES notation for 6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde?
The canonical SMILES for 6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde is O=Cc1c(F)cc(CBr)nc1C(F)F.
What is the InChIKey of 6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde?
The InChIKey is UQEXMQMLMRDPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO/c9-2-4-1-6(10)5(3-14)7(13-4)8(11)12/h1,3,8H,2H2.
What are the key properties of 6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde?
6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-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)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde is sourced from PubChem (CID 130081885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).