5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde

C7H3BrF3NO — CID 130109713

IUPAC5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde
SMILESO=Cc1c(Br)cnc(F)c1C(F)F
InChIInChI=1S/C7H3BrF3NO/c8-4-1-12-7(11)5(6(9)10)3(4)2-13/h1-2,6H
InChIKeyPIXDTGJXVWDNPG-UHFFFAOYSA-N
MW254.00 g/mol
LogP2.73
Rot. Bonds2

About 5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde

5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde (PubChem CID 130109713) has the molecular formula C7H3BrF3NO and a molecular weight of 254.00 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde
PubChem CID130109713
Molecular FormulaC7H3BrF3NO
Molecular Weight254.00 g/mol
Exact Mass252.94
IUPAC Name5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde
SMILESO=Cc1c(Br)cnc(F)c1C(F)F
InChIInChI=1S/C7H3BrF3NO/c8-4-1-12-7(11)5(6(9)10)3(4)2-13/h1-2,6H
InChIKeyPIXDTGJXVWDNPG-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

5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile
CID 130076244
5-bromo-3-chloro-2-fluoropyridine-4-carbaldehyde
CID 131583731
4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde
CID 119011555
5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 130070661
5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-sulfonamide
CID 130109962
5-bromo-2-chloro-3-fluoropyridine-4-carbaldehyde
CID 131322690
5-(difluoromethyl)-2-fluoro-4-methylpyridine-3-carbaldehyde
CID 130081163
5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde
CID 130080238
5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
CID 130109359
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
CID 130109704
5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride
CID 130099934
4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde
CID 118818484

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde?
The IUPAC name of 5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde (CID 130109713) is 5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde?
The canonical SMILES for 5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde is O=Cc1c(Br)cnc(F)c1C(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde?
The InChIKey is PIXDTGJXVWDNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3NO/c8-4-1-12-7(11)5(6(9)10)3(4)2-13/h1-2,6H.
What are the key properties of 5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde?
5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-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 5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde is sourced from PubChem (CID 130109713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).