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

C8H7F2IN2O2 — CID 130105552

IUPACmethyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate
SMILESCOC(=O)c1cc(I)nc(N)c1C(F)F
InChIInChI=1S/C8H7F2IN2O2/c1-15-8(14)3-2-4(11)13-7(12)5(3)6(9)10/h2,6H,1H3,(H2,12,13)
InChIKeyHFLNQGKSPLMMGQ-UHFFFAOYSA-N
MW328.06 g/mol
LogP1.99
Rot. Bonds2

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

methyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate (PubChem CID 130105552) has the molecular formula C8H7F2IN2O2 and a molecular weight of 328.06 g/mol. Its IUPAC name is methyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate
PubChem CID130105552
Molecular FormulaC8H7F2IN2O2
Molecular Weight328.06 g/mol
Exact Mass327.95
IUPAC Namemethyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate
SMILESCOC(=O)c1cc(I)nc(N)c1C(F)F
InChIInChI=1S/C8H7F2IN2O2/c1-15-8(14)3-2-4(11)13-7(12)5(3)6(9)10/h2,6H,1H3,(H2,12,13)
InChIKeyHFLNQGKSPLMMGQ-UHFFFAOYSA-N
XLogP1.99
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.06
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate
CID 133102155
methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 130104947
methyl 2-(aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100237
methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate
CID 133105531
methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate
CID 130086278
methyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 130104944
methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 130105555
methyl 5-(aminomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carboxylate
CID 133100242
methyl 2-(aminomethyl)-6-bromo-3-(difluoromethyl)pyridine-4-carboxylate
CID 134685150
methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 130105551
methyl 5-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 134675061
methyl 2-amino-4-(difluoromethyl)-5-iodobenzoate
CID 59164445

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate (CID 130105552) is methyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate is COC(=O)c1cc(I)nc(N)c1C(F)F.
What is the InChIKey of methyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate?
The InChIKey is HFLNQGKSPLMMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2IN2O2/c1-15-8(14)3-2-4(11)13-7(12)5(3)6(9)10/h2,6H,1H3,(H2,12,13).
What are the key properties of methyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate?
methyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate has a molecular weight of 328.06 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate is sourced from PubChem (CID 130105552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).