6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde

C8H4BrF4NO2 — CID 130110872

IUPAC6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1c(OC(F)(F)F)cc(CBr)nc1F
InChIInChI=1S/C8H4BrF4NO2/c9-2-4-1-6(16-8(11,12)13)5(3-15)7(10)14-4/h1,3H,2H2
InChIKeyKGLLVOWEHFUYMM-UHFFFAOYSA-N
MW302.02 g/mol
LogP2.83
Rot. Bonds3

About 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde

6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 130110872) has the molecular formula C8H4BrF4NO2 and a molecular weight of 302.02 g/mol. Its IUPAC name is 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID130110872
Molecular FormulaC8H4BrF4NO2
Molecular Weight302.02 g/mol
Exact Mass300.94
IUPAC Name6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1c(OC(F)(F)F)cc(CBr)nc1F
InChIInChI=1S/C8H4BrF4NO2/c9-2-4-1-6(16-8(11,12)13)5(3-15)7(10)14-4/h1,3H,2H2
InChIKeyKGLLVOWEHFUYMM-UHFFFAOYSA-N
XLogP2.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.02
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134680938
6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine
CID 134658939
6-(bromomethyl)-2-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134667695
6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134670040
[5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130094281
6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119009701
2-(bromomethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134671574
2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118821393
5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130110887
6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
CID 130081885
2-(bromomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-4-carbaldehyde
CID 134676064
ethyl 6-(bromomethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134675576

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 130110872) is 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde is O=Cc1c(OC(F)(F)F)cc(CBr)nc1F.
What is the InChIKey of 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is KGLLVOWEHFUYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF4NO2/c9-2-4-1-6(16-8(11,12)13)5(3-15)7(10)14-4/h1,3H,2H2.
What are the key properties of 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde has a molecular weight of 302.02 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 130110872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).