4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde

C7H3F4NO — CID 119011555

IUPAC4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde
SMILESO=Cc1c(F)ncc(F)c1C(F)F
InChIInChI=1S/C7H3F4NO/c8-4-1-12-7(11)3(2-13)5(4)6(9)10/h1-2,6H
InChIKeyFHVYHYSLQQYUAO-UHFFFAOYSA-N
MW193.10 g/mol
LogP2.11
Rot. Bonds2

About 4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde

4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde (PubChem CID 119011555) has the molecular formula C7H3F4NO and a molecular weight of 193.10 g/mol. Its IUPAC name is 4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde
PubChem CID119011555
Molecular FormulaC7H3F4NO
Molecular Weight193.10 g/mol
Exact Mass193.02
IUPAC Name4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde
SMILESO=Cc1c(F)ncc(F)c1C(F)F
InChIInChI=1S/C7H3F4NO/c8-4-1-12-7(11)3(2-13)5(4)6(9)10/h1-2,6H
InChIKeyFHVYHYSLQQYUAO-UHFFFAOYSA-N
XLogP2.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.10
LogP ≤ 52.11
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)-5-fluoro-3-formylpyridine-2-carbonitrile
CID 130076214
5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde
CID 130109713
5-(difluoromethyl)-2-fluoro-4-methylpyridine-3-carbaldehyde
CID 130081163
5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde
CID 130080238
5-(difluoromethyl)-6-fluoro-4-formylpyridine-3-carbonitrile
CID 130076244
4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde
CID 118829503
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
CID 130109704
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde
CID 118854258
4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde
CID 118818484
2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carbaldehyde
CID 118803644
5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 130070661
2-chloro-4-(difluoromethyl)-3,5-difluoropyridine
CID 130099578

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde (CID 119011555) is 4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde is O=Cc1c(F)ncc(F)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde?
The InChIKey is FHVYHYSLQQYUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4NO/c8-4-1-12-7(11)3(2-13)5(4)6(9)10/h1-2,6H.
What are the key properties of 4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde?
4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde has a molecular weight of 193.10 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde is sourced from PubChem (CID 119011555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).