2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde

C8H3BrF5NO — CID 119011244

IUPAC2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(C(F)(F)F)nc1Br
InChIInChI=1S/C8H3BrF5NO/c9-6-3(2-16)1-4(7(10)11)5(15-6)8(12,13)14/h1-2,7H
InChIKeyQODYKFJMEBTVTN-UHFFFAOYSA-N
MW304.01 g/mol
LogP3.61
Rot. Bonds2

About 2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde

2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 119011244) has the molecular formula C8H3BrF5NO and a molecular weight of 304.01 g/mol. Its IUPAC name is 2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID119011244
Molecular FormulaC8H3BrF5NO
Molecular Weight304.01 g/mol
Exact Mass302.93
IUPAC Name2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(C(F)(F)F)nc1Br
InChIInChI=1S/C8H3BrF5NO/c9-6-3(2-16)1-4(7(10)11)5(15-6)8(12,13)14/h1-2,7H
InChIKeyQODYKFJMEBTVTN-UHFFFAOYSA-N
XLogP3.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.01
LogP ≤ 53.61
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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Related Compounds

6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118820202
5-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 133099027
2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 118994364
5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde
CID 130101411
3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130070871
4-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118800737
5-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridin-2-amine
CID 118999361
5-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridin-3-amine
CID 130104126
5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679457
2-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118855153
6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 119019596
4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106396

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde (CID 119011244) is 2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde is O=Cc1cc(C(F)F)c(C(F)(F)F)nc1Br.
What is the InChIKey of 2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is QODYKFJMEBTVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF5NO/c9-6-3(2-16)1-4(7(10)11)5(15-6)8(12,13)14/h1-2,7H.
What are the key properties of 2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde?
2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 304.01 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 119011244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).