4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde

C7H3F3INO — CID 118818484

IUPAC4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde
SMILESO=Cc1cnc(F)c(I)c1C(F)F
InChIInChI=1S/C7H3F3INO/c8-6(9)4-3(2-13)1-12-7(10)5(4)11/h1-2,6H
InChIKeyCTLIKBHDPZOYSU-UHFFFAOYSA-N
MW301.00 g/mol
LogP2.58
Rot. Bonds2

About 4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde

4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde (PubChem CID 118818484) has the molecular formula C7H3F3INO and a molecular weight of 301.00 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde
PubChem CID118818484
Molecular FormulaC7H3F3INO
Molecular Weight301.00 g/mol
Exact Mass300.92
IUPAC Name4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde
SMILESO=Cc1cnc(F)c(I)c1C(F)F
InChIInChI=1S/C7H3F3INO/c8-6(9)4-3(2-13)1-12-7(10)5(4)11/h1-2,6H
InChIKeyCTLIKBHDPZOYSU-UHFFFAOYSA-N
XLogP2.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.00
LogP ≤ 52.58
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine
CID 118840077
6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 118999761
5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde
CID 130080238
5-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134667776
2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid
CID 130080364
4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine
CID 118845695
4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde
CID 118829503
4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde
CID 119011555
6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 130104859
5-(difluoromethyl)-2-fluoro-3,4-diiodopyridine
CID 130100485
2-fluoro-5-iodopyridine-3-carbaldehyde
CID 126569658
4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118801124

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde (CID 118818484) is 4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde is O=Cc1cnc(F)c(I)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde?
The InChIKey is CTLIKBHDPZOYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3INO/c8-6(9)4-3(2-13)1-12-7(10)5(4)11/h1-2,6H.
What are the key properties of 4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde?
4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde has a molecular weight of 301.00 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde is sourced from PubChem (CID 118818484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).