methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate

C8H5ClF2INO2 — CID 130073398

IUPACmethyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate
SMILESCOC(=O)c1c(I)cc(Cl)nc1C(F)F
InChIInChI=1S/C8H5ClF2INO2/c1-15-8(14)5-3(12)2-4(9)13-6(5)7(10)11/h2,7H,1H3
InChIKeyXRNQSTDRUPUGFT-UHFFFAOYSA-N
MW347.49 g/mol
LogP3.06
Rot. Bonds2

About methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate

methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate (PubChem CID 130073398) has the molecular formula C8H5ClF2INO2 and a molecular weight of 347.49 g/mol. Its IUPAC name is methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate
PubChem CID130073398
Molecular FormulaC8H5ClF2INO2
Molecular Weight347.49 g/mol
Exact Mass346.90
IUPAC Namemethyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate
SMILESCOC(=O)c1c(I)cc(Cl)nc1C(F)F
InChIInChI=1S/C8H5ClF2INO2/c1-15-8(14)5-3(12)2-4(9)13-6(5)7(10)11/h2,7H,1H3
InChIKeyXRNQSTDRUPUGFT-UHFFFAOYSA-N
XLogP3.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130072026
methyl 2-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659257
methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate
CID 130086278
methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130069477
methyl 4-chloro-2,6-diiodobenzoate
CID 130775245
methyl 4-(aminomethyl)-6-bromo-2-(difluoromethyl)pyridine-3-carboxylate
CID 134675417
methyl 2-(difluoromethyl)-4,6-difluoropyridine-3-carboxylate
CID 134664214
methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130095660
methyl 4-cyano-2-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 130077676
2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid
CID 130073442
methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate
CID 130080291
methyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate
CID 130080286

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate?
The IUPAC name of methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate (CID 130073398) is methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate?
The canonical SMILES for methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate is COC(=O)c1c(I)cc(Cl)nc1C(F)F.
What is the InChIKey of methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate?
The InChIKey is XRNQSTDRUPUGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2INO2/c1-15-8(14)5-3(12)2-4(9)13-6(5)7(10)11/h2,7H,1H3.
What are the key properties of methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate?
methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate has a molecular weight of 347.49 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate is sourced from PubChem (CID 130073398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).