methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate

C8H6F2INO2 — CID 130096872

IUPACmethyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate
SMILESCOC(=O)c1nccc(C(F)F)c1I
InChIInChI=1S/C8H6F2INO2/c1-14-8(13)6-5(11)4(7(9)10)2-3-12-6/h2-3,7H,1H3
InChIKeyZQPAKXNDVQVJKP-UHFFFAOYSA-N
MW313.04 g/mol
LogP2.41
Rot. Bonds2

About methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate

methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate (PubChem CID 130096872) has the molecular formula C8H6F2INO2 and a molecular weight of 313.04 g/mol. Its IUPAC name is methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate
PubChem CID130096872
Molecular FormulaC8H6F2INO2
Molecular Weight313.04 g/mol
Exact Mass312.94
IUPAC Namemethyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate
SMILESCOC(=O)c1nccc(C(F)F)c1I
InChIInChI=1S/C8H6F2INO2/c1-14-8(13)6-5(11)4(7(9)10)2-3-12-6/h2-3,7H,1H3
InChIKeyZQPAKXNDVQVJKP-UHFFFAOYSA-N
XLogP2.41
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.04
LogP ≤ 52.41
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 4-bromo-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 134667411
methyl 5-(difluoromethyl)-2-fluoro-3-iodopyridine-4-carboxylate
CID 130080332
methyl 2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate
CID 134683469
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
methyl 4-(difluoromethyl)pyridine-3-carboxylate
CID 97181391
methyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 133100734
methyl 3-(difluoromethyl)-4-iodo-5-methylpyridine-2-carboxylate
CID 130086290
1-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]ethanone
CID 155687705
methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 130105551
ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate
CID 133088342
methyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate
CID 152564079
methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 130104314

Frequently Asked Questions

What is the IUPAC name of methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate?
The IUPAC name of methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate (CID 130096872) is methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate?
The canonical SMILES for methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate is COC(=O)c1nccc(C(F)F)c1I.
What is the InChIKey of methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate?
The InChIKey is ZQPAKXNDVQVJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2INO2/c1-14-8(13)6-5(11)4(7(9)10)2-3-12-6/h2-3,7H,1H3.
What are the key properties of methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate?
methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate has a molecular weight of 313.04 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate is sourced from PubChem (CID 130096872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).