5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde

C8H3F5INO — CID 130087740

IUPAC5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)ncc(C(F)F)c1I
InChIInChI=1S/C8H3F5INO/c9-7(10)3-1-15-6(8(11,12)13)4(2-16)5(3)14/h1-2,7H
InChIKeyKNMBPHGFEDRTME-UHFFFAOYSA-N
MW351.01 g/mol
LogP3.46
Rot. Bonds2

About 5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde

5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 130087740) has the molecular formula C8H3F5INO and a molecular weight of 351.01 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID130087740
Molecular FormulaC8H3F5INO
Molecular Weight351.01 g/mol
Exact Mass350.92
IUPAC Name5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)ncc(C(F)F)c1I
InChIInChI=1S/C8H3F5INO/c9-7(10)3-1-15-6(8(11,12)13)4(2-16)5(3)14/h1-2,7H
InChIKeyKNMBPHGFEDRTME-UHFFFAOYSA-N
XLogP3.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.01
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde
CID 130080238
5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 130085432
3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 130087741
5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde
CID 130086717
4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118810505
5-(difluoromethyl)-2-iodo-3-methylpyridine-4-carbaldehyde
CID 130086220
2-chloro-5-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 119015773
4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde
CID 118833462
5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133084494
2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130087722
4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118812592
3-bromo-5-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130068411

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde (CID 130087740) is 5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde is O=Cc1c(C(F)(F)F)ncc(C(F)F)c1I.
What is the InChIKey of 5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is KNMBPHGFEDRTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5INO/c9-7(10)3-1-15-6(8(11,12)13)4(2-16)5(3)14/h1-2,7H.
What are the key properties of 5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde?
5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 351.01 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 130087740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).