2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde

C7H3F3INO — CID 130922748

IUPAC2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)F)nc1I
InChIInChI=1S/C7H3F3INO/c8-7(9,10)5-2-1-4(3-13)6(11)12-5/h1-3H
InChIKeyTTXRPINHBPKXNB-UHFFFAOYSA-N
MW301.00 g/mol
LogP2.52
Rot. Bonds1

About 2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde

2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 130922748) has the molecular formula C7H3F3INO and a molecular weight of 301.00 g/mol. Its IUPAC name is 2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID130922748
Molecular FormulaC7H3F3INO
Molecular Weight301.00 g/mol
Exact Mass300.92
IUPAC Name2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)F)nc1I
InChIInChI=1S/C7H3F3INO/c8-7(9,10)5-2-1-4(3-13)6(11)12-5/h1-3H
InChIKeyTTXRPINHBPKXNB-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 28875322
2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 11482301
2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118819430
6-amino-5-methoxy-2-(trifluoromethyl)quinoline-7-carbaldehyde
CID 89105796
3-bromo-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118704033
2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118819307
2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134669413
5-iodo-2-(trifluoromethyl)quinolin-6-amine
CID 162440825
7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde
CID 89187467
1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 105485170
6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde
CID 125451453
3-(fluoromethoxy)-2-iodo-6-(trifluoromethyl)pyridine
CID 131054604

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde (CID 130922748) is 2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde is O=Cc1ccc(C(F)(F)F)nc1I.
What is the InChIKey of 2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is TTXRPINHBPKXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3INO/c8-7(9,10)5-2-1-4(3-13)6(11)12-5/h1-3H.
What are the key properties of 2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde?
2-iodo-6-(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 2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 130922748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).