6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde

C7H3BrF3NO — CID 118999761

IUPAC6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
SMILESO=Cc1cnc(Br)c(F)c1C(F)F
InChIInChI=1S/C7H3BrF3NO/c8-6-5(9)4(7(10)11)3(2-13)1-12-6/h1-2,7H
InChIKeyASQIHYHSJBHOAE-UHFFFAOYSA-N
MW254.00 g/mol
LogP2.73
Rot. Bonds2

About 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde

6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde (PubChem CID 118999761) has the molecular formula C7H3BrF3NO and a molecular weight of 254.00 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
PubChem CID118999761
Molecular FormulaC7H3BrF3NO
Molecular Weight254.00 g/mol
Exact Mass252.94
IUPAC Name6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
SMILESO=Cc1cnc(Br)c(F)c1C(F)F
InChIInChI=1S/C7H3BrF3NO/c8-6-5(9)4(7(10)11)3(2-13)1-12-6/h1-2,7H
InChIKeyASQIHYHSJBHOAE-UHFFFAOYSA-N
XLogP2.73
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.00
LogP ≤ 52.73
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

4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde
CID 118818484
6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130109853
2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 118997990
6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde
CID 130099857
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 119019587
methyl 2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674905
6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118831148
6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 130104859
4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106249
4-amino-6-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 118851291
5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde
CID 130109713
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
CID 130109704

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde?
The IUPAC name of 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde (CID 118999761) is 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde.
What is the SMILES notation for 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde?
The canonical SMILES for 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde is O=Cc1cnc(Br)c(F)c1C(F)F.
What is the InChIKey of 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde?
The InChIKey is ASQIHYHSJBHOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3NO/c8-6-5(9)4(7(10)11)3(2-13)1-12-6/h1-2,7H.
What are the key properties of 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde?
6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde has a molecular weight of 254.00 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde is sourced from PubChem (CID 118999761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).