5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde

C7H3F3INO2 — CID 130092580

IUPAC5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1cc(OC(F)(F)F)c(I)cn1
InChIInChI=1S/C7H3F3INO2/c8-7(9,10)14-6-1-4(3-13)12-2-5(6)11/h1-3H
InChIKeyDIJWDSOLQUVBTQ-UHFFFAOYSA-N
MW317.00 g/mol
LogP2.40
Rot. Bonds2

About 5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde

5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 130092580) has the molecular formula C7H3F3INO2 and a molecular weight of 317.00 g/mol. Its IUPAC name is 5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID130092580
Molecular FormulaC7H3F3INO2
Molecular Weight317.00 g/mol
Exact Mass316.92
IUPAC Name5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1cc(OC(F)(F)F)c(I)cn1
InChIInChI=1S/C7H3F3INO2/c8-7(9,10)14-6-1-4(3-13)12-2-5(6)11/h1-3H
InChIKeyDIJWDSOLQUVBTQ-UHFFFAOYSA-N
XLogP2.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.00
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130113208
5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130111506
5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130113000
2-chloro-5-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119019372
6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119024459
2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119015810
3-iodo-4-nitro-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134681097
3-amino-6-formyl-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095236
1,4-diiodo-2-(trifluoromethoxy)benzene
CID 146764437
1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene
CID 118841669
5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134676264
6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118809091

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 130092580) is 5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde is O=Cc1cc(OC(F)(F)F)c(I)cn1.
What is the InChIKey of 5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is DIJWDSOLQUVBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3INO2/c8-7(9,10)14-6-1-4(3-13)12-2-5(6)11/h1-3H.
What are the key properties of 5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde has a molecular weight of 317.00 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 130092580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).