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

C7H3F3INO — CID 118810505

IUPAC4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1c(I)ccnc1C(F)(F)F
InChIInChI=1S/C7H3F3INO/c8-7(9,10)6-4(3-13)5(11)1-2-12-6/h1-3H
InChIKeyKPQNGUBRNRTTNK-UHFFFAOYSA-N
MW301.00 g/mol
LogP2.52
Rot. Bonds1

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

4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 118810505) has the molecular formula C7H3F3INO and a molecular weight of 301.00 g/mol. Its IUPAC name is 4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID118810505
Molecular FormulaC7H3F3INO
Molecular Weight301.00 g/mol
Exact Mass300.92
IUPAC Name4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1c(I)ccnc1C(F)(F)F
InChIInChI=1S/C7H3F3INO/c8-7(9,10)6-4(3-13)5(11)1-2-12-6/h1-3H
InChIKeyKPQNGUBRNRTTNK-UHFFFAOYSA-N
XLogP2.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.00
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde (CID 118810505) is 4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde is O=Cc1c(I)ccnc1C(F)(F)F.
What is the InChIKey of 4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is KPQNGUBRNRTTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3INO/c8-7(9,10)6-4(3-13)5(11)1-2-12-6/h1-3H.
What are the key properties of 4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde?
4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 301.00 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 118810505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).