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

C8H4BrF4NO2 — CID 130110887

IUPAC5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1nc(OC(F)(F)F)c(CBr)cc1F
InChIInChI=1S/C8H4BrF4NO2/c9-2-4-1-5(10)6(3-15)14-7(4)16-8(11,12)13/h1,3H,2H2
InChIKeyGMLHEWMKGKJGNA-UHFFFAOYSA-N
MW302.02 g/mol
LogP2.83
Rot. Bonds3

About 5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde

5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 130110887) has the molecular formula C8H4BrF4NO2 and a molecular weight of 302.02 g/mol. Its IUPAC name is 5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID130110887
Molecular FormulaC8H4BrF4NO2
Molecular Weight302.02 g/mol
Exact Mass300.94
IUPAC Name5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1nc(OC(F)(F)F)c(CBr)cc1F
InChIInChI=1S/C8H4BrF4NO2/c9-2-4-1-5(10)6(3-15)14-7(4)16-8(11,12)13/h1,3H,2H2
InChIKeyGMLHEWMKGKJGNA-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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[6-(bromomethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118855097
5-(bromomethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134679397
5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 119013970
5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 134666693
ethyl 5-(bromomethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134676575
methyl 2-[5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134671507
6-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130112405
5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134667822
3-iodo-5-nitro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134679774
3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134666917
6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130110872
2-(bromomethyl)-4-(trifluoromethoxy)benzaldehyde
CID 170997735

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 130110887) is 5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde is O=Cc1nc(OC(F)(F)F)c(CBr)cc1F.
What is the InChIKey of 5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is GMLHEWMKGKJGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF4NO2/c9-2-4-1-5(10)6(3-15)14-7(4)16-8(11,12)13/h1,3H,2H2.
What are the key properties of 5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde?
5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-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 5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 130110887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).