methyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate

C13H9FINO2 — CID 152564079

IUPACmethyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nccc(-c2ccc(I)cc2)c1F
InChIInChI=1S/C13H9FINO2/c1-18-13(17)12-11(14)10(6-7-16-12)8-2-4-9(15)5-3-8/h2-7H,1H3
InChIKeyYQCJDMVZOZQPON-UHFFFAOYSA-N
MW357.12 g/mol
LogP3.28
Rot. Bonds2

About methyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate

methyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate (PubChem CID 152564079) has the molecular formula C13H9FINO2 and a molecular weight of 357.12 g/mol. Its IUPAC name is methyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate
PubChem CID152564079
Molecular FormulaC13H9FINO2
Molecular Weight357.12 g/mol
Exact Mass356.97
IUPAC Namemethyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nccc(-c2ccc(I)cc2)c1F
InChIInChI=1S/C13H9FINO2/c1-18-13(17)12-11(14)10(6-7-16-12)8-2-4-9(15)5-3-8/h2-7H,1H3
InChIKeyYQCJDMVZOZQPON-UHFFFAOYSA-N
XLogP3.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.12
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate 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

methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate
CID 166584197
methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 130096872
methyl 2-benzoyl-4-phenylpyridine-3-carboxylate
CID 67695939
methyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate
CID 134638044
3-iodopyrazine-2-carboxylic acid;methyl 3-iodopyrazine-2-carboxylate
CID 163762447
methyl 7-fluoroisoquinoline-1-carboxylate
CID 82572059
methyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate
CID 174253439
methyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate
CID 150115292
methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 141441800
methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate
CID 144501776
methyl 4-(4-fluorophenyl)-1-methylpyrazole-3-carboxylate
CID 154672739

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate (CID 152564079) is methyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate is COC(=O)c1nccc(-c2ccc(I)cc2)c1F.
What is the InChIKey of methyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate?
The InChIKey is YQCJDMVZOZQPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FINO2/c1-18-13(17)12-11(14)10(6-7-16-12)8-2-4-9(15)5-3-8/h2-7H,1H3.
What are the key properties of methyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate?
methyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate has a molecular weight of 357.12 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 152564079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).