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

C8H3F5INO — CID 130087741

IUPAC3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1c(I)cnc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H3F5INO/c9-7(10)5-3(2-16)4(14)1-15-6(5)8(11,12)13/h1-2,7H
InChIKeyCMWLQSFVGYWJNS-UHFFFAOYSA-N
MW351.01 g/mol
LogP3.46
Rot. Bonds2

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

3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)pyridine-4-carbaldehyde (PubChem CID 130087741) has the molecular formula C8H3F5INO and a molecular weight of 351.01 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)pyridine-4-carbaldehyde
PubChem CID130087741
Molecular FormulaC8H3F5INO
Molecular Weight351.01 g/mol
Exact Mass350.92
IUPAC Name3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1c(I)cnc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H3F5INO/c9-7(10)5-3(2-16)4(14)1-15-6(5)8(11,12)13/h1-2,7H
InChIKeyCMWLQSFVGYWJNS-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-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133084494
5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130087740
4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118810505
5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 130085432
methyl 2-[3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133100816
4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106249
3-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134665599
2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130087722
4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118817666
3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde
CID 130086216
5-(difluoromethyl)-4-fluoro-6-(trifluoromethyl)pyridin-3-amine
CID 130104128
4-chloro-5-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 130102768

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)pyridine-4-carbaldehyde (CID 130087741) is 3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)pyridine-4-carbaldehyde is O=Cc1c(I)cnc(C(F)(F)F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is CMWLQSFVGYWJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5INO/c9-7(10)5-3(2-16)4(14)1-15-6(5)8(11,12)13/h1-2,7H.
What are the key properties of 3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)pyridine-4-carbaldehyde?
3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)pyridine-4-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 3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 130087741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).