2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde

C7H3BrF3NO2 — CID 119015810

IUPAC2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1cc(Br)ncc1OC(F)(F)F
InChIInChI=1S/C7H3BrF3NO2/c8-6-1-4(3-13)5(2-12-6)14-7(9,10)11/h1-3H
InChIKeyAPMPINUQFCIUGR-UHFFFAOYSA-N
MW270.00 g/mol
LogP2.56
Rot. Bonds2

About 2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde

2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde (PubChem CID 119015810) has the molecular formula C7H3BrF3NO2 and a molecular weight of 270.00 g/mol. Its IUPAC name is 2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde
PubChem CID119015810
Molecular FormulaC7H3BrF3NO2
Molecular Weight270.00 g/mol
Exact Mass268.93
IUPAC Name2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1cc(Br)ncc1OC(F)(F)F
InChIInChI=1S/C7H3BrF3NO2/c8-6-1-4(3-13)5(2-12-6)14-7(9,10)11/h1-3H
InChIKeyAPMPINUQFCIUGR-UHFFFAOYSA-N
XLogP2.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.00
LogP ≤ 52.56
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'}

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Related Compounds

2-chloro-5-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119019372
4-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 130091935
6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119024459
5-amino-2-bromo-3-(trifluoromethoxy)benzaldehyde
CID 131287439
[6-bromo-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 119005700
5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130092237
2-chloro-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119020600
2,3,4-tribromo-5-(trifluoromethoxy)pyridine
CID 118809447
5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130092580
5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde
CID 18677608
2-(trifluoromethoxy)terephthalaldehyde
CID 170999220
ethyl 6-bromo-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 171029000

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde (CID 119015810) is 2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde is O=Cc1cc(Br)ncc1OC(F)(F)F.
What is the InChIKey of 2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde?
The InChIKey is APMPINUQFCIUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3NO2/c8-6-1-4(3-13)5(2-12-6)14-7(9,10)11/h1-3H.
What are the key properties of 2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde?
2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde has a molecular weight of 270.00 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 119015810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).