2-bromo-4-(trifluoromethyl)pyridine-3-carbaldehyde

C7H3BrF3NO — CID 118704160

IUPAC2-bromo-4-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)ccnc1Br
InChIInChI=1S/C7H3BrF3NO/c8-6-4(3-13)5(1-2-12-6)7(9,10)11/h1-3H
InChIKeySQNFQCXEARYECG-UHFFFAOYSA-N
MW254.00 g/mol
LogP2.68
Rot. Bonds1

About 2-bromo-4-(trifluoromethyl)pyridine-3-carbaldehyde

2-bromo-4-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 118704160) has the molecular formula C7H3BrF3NO and a molecular weight of 254.00 g/mol. Its IUPAC name is 2-bromo-4-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-bromo-4-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID118704160
Molecular FormulaC7H3BrF3NO
Molecular Weight254.00 g/mol
Exact Mass252.94
IUPAC Name2-bromo-4-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)ccnc1Br
InChIInChI=1S/C7H3BrF3NO/c8-6-4(3-13)5(1-2-12-6)7(9,10)11/h1-3H
InChIKeySQNFQCXEARYECG-UHFFFAOYSA-N
XLogP2.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.00
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-bromo-4-(trifluoromethyl)pyridine-3-carbaldehyde (CID 118704160) is 2-bromo-4-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-bromo-4-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-bromo-4-(trifluoromethyl)pyridine-3-carbaldehyde is O=Cc1c(C(F)(F)F)ccnc1Br.
What is the InChIKey of 2-bromo-4-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is SQNFQCXEARYECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3NO/c8-6-4(3-13)5(1-2-12-6)7(9,10)11/h1-3H.
What are the key properties of 2-bromo-4-(trifluoromethyl)pyridine-3-carbaldehyde?
2-bromo-4-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 254.00 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 118704160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).