methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate

C13H8ClFINO2 — CID 166584197

IUPACmethyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(I)cc2)c(F)cc1Cl
InChIInChI=1S/C13H8ClFINO2/c1-19-13(18)12-9(14)6-10(15)11(17-12)7-2-4-8(16)5-3-7/h2-6H,1H3
InChIKeySIPFQYBRFDVOJI-UHFFFAOYSA-N
MW391.57 g/mol
LogP3.93
Rot. Bonds2

About methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate

methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate (PubChem CID 166584197) has the molecular formula C13H8ClFINO2 and a molecular weight of 391.57 g/mol. Its IUPAC name is methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate
PubChem CID166584197
Molecular FormulaC13H8ClFINO2
Molecular Weight391.57 g/mol
Exact Mass390.93
IUPAC Namemethyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(I)cc2)c(F)cc1Cl
InChIInChI=1S/C13H8ClFINO2/c1-19-13(18)12-9(14)6-10(15)11(17-12)7-2-4-8(16)5-3-7/h2-6H,1H3
InChIKeySIPFQYBRFDVOJI-UHFFFAOYSA-N
XLogP3.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.57
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate
CID 142574412
3-chloro-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 141310101
methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate
CID 142574461
methyl 3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate
CID 142574160
methyl 3-chloro-6-[2-chloro-4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate
CID 142574195
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
CID 59432126
methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate
CID 144501776
methyl 3-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636658
methyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate
CID 152564079
methyl 2-(3-chloro-4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306502
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate
CID 59432141
methyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate
CID 59585041

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate (CID 166584197) is methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(I)cc2)c(F)cc1Cl.
What is the InChIKey of methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate?
The InChIKey is SIPFQYBRFDVOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFINO2/c1-19-13(18)12-9(14)6-10(15)11(17-12)7-2-4-8(16)5-3-7/h2-6H,1H3.
What are the key properties of methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate?
methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate has a molecular weight of 391.57 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 166584197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).