5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde

C8H4ClF3INO2 — CID 130113288

IUPAC5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1c(OC(F)(F)F)ncc(CCl)c1I
InChIInChI=1S/C8H4ClF3INO2/c9-1-4-2-14-7(16-8(10,11)12)5(3-15)6(4)13/h2-3H,1H2
InChIKeyOIANAPLUGWKEBO-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.14
Rot. Bonds3

About 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde

5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 130113288) has the molecular formula C8H4ClF3INO2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID130113288
Molecular FormulaC8H4ClF3INO2
Molecular Weight365.48 g/mol
Exact Mass364.89
IUPAC Name5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1c(OC(F)(F)F)ncc(CCl)c1I
InChIInChI=1S/C8H4ClF3INO2/c9-1-4-2-14-7(16-8(10,11)12)5(3-15)6(4)13/h2-3H,1H2
InChIKeyOIANAPLUGWKEBO-UHFFFAOYSA-N
XLogP3.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111284
5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine-3-carbaldehyde
CID 130087544
5-(chloromethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679465
2-[5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134667453
5-(chloromethyl)-2-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 130087542
5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130113000
4-(chloromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134676086
4-(chloromethyl)-2-methoxy-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134681677
3-(aminomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134666990
5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134661619
4-(chloromethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134682429
[5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134668063

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 130113288) is 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde is O=Cc1c(OC(F)(F)F)ncc(CCl)c1I.
What is the InChIKey of 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is OIANAPLUGWKEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3INO2/c9-1-4-2-14-7(16-8(10,11)12)5(3-15)6(4)13/h2-3H,1H2.
What are the key properties of 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde?
5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde has a molecular weight of 365.48 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 130113288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).