6-(1,1-difluoro-2-iodoethyl)pyridine-3-carbaldehyde

C8H6F2INO — CID 166693788

IUPAC6-(1,1-difluoro-2-iodoethyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)CI)nc1
InChIInChI=1S/C8H6F2INO/c9-8(10,5-11)7-2-1-6(4-13)3-12-7/h1-4H,5H2
InChIKeyQLVPSTXFTUJMSD-UHFFFAOYSA-N
MW297.04 g/mol
LogP2.42
Rot. Bonds3

About 6-(1,1-difluoro-2-iodoethyl)pyridine-3-carbaldehyde

6-(1,1-difluoro-2-iodoethyl)pyridine-3-carbaldehyde (PubChem CID 166693788) has the molecular formula C8H6F2INO and a molecular weight of 297.04 g/mol. Its IUPAC name is 6-(1,1-difluoro-2-iodoethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(1,1-difluoro-2-iodoethyl)pyridine-3-carbaldehyde
PubChem CID166693788
Molecular FormulaC8H6F2INO
Molecular Weight297.04 g/mol
Exact Mass296.95
IUPAC Name6-(1,1-difluoro-2-iodoethyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)CI)nc1
InChIInChI=1S/C8H6F2INO/c9-8(10,5-11)7-2-1-6(4-13)3-12-7/h1-4H,5H2
InChIKeyQLVPSTXFTUJMSD-UHFFFAOYSA-N
XLogP2.42
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.04
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine
CID 135125549
2-(1,1-difluoro-2-iodoethyl)-5-(2,2,2-trifluoroethyl)pyridine
CID 167136090
5-bromo-4-[[6-(1,1-difluoro-2-iodoethyl)-3-pyridinyl]oxy]pyrimidine
CID 140963801
2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidine-5-carbaldehyde
CID 58259308
6-(4-iodophenyl)pyridine-3-carbaldehyde
CID 24729737
6-(bromomethyl)pyridine-3-carbaldehyde
CID 53404436
3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
CID 2783389
6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
CID 80638531
6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde
CID 167053235
6-(trideuteriomethyl)pyridine-3-carbaldehyde
CID 59327566
6-[(S)-methylsulfinyl]pyridine-3-carbaldehyde
CID 129383923
6-[(R)-methylsulfinyl]pyridine-3-carbaldehyde
CID 129383921

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoro-2-iodoethyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(1,1-difluoro-2-iodoethyl)pyridine-3-carbaldehyde (CID 166693788) is 6-(1,1-difluoro-2-iodoethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(1,1-difluoro-2-iodoethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(1,1-difluoro-2-iodoethyl)pyridine-3-carbaldehyde is O=Cc1ccc(C(F)(F)CI)nc1.
What is the InChIKey of 6-(1,1-difluoro-2-iodoethyl)pyridine-3-carbaldehyde?
The InChIKey is QLVPSTXFTUJMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2INO/c9-8(10,5-11)7-2-1-6(4-13)3-12-7/h1-4H,5H2.
What are the key properties of 6-(1,1-difluoro-2-iodoethyl)pyridine-3-carbaldehyde?
6-(1,1-difluoro-2-iodoethyl)pyridine-3-carbaldehyde has a molecular weight of 297.04 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoro-2-iodoethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 166693788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).