methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate

C8H7F2IN2O2 — CID 130105555

IUPACmethyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate
SMILESCOC(=O)c1cc(C(F)F)c(I)c(N)n1
InChIInChI=1S/C8H7F2IN2O2/c1-15-8(14)4-2-3(6(9)10)5(11)7(12)13-4/h2,6H,1H3,(H2,12,13)
InChIKeyYTQICMRAXZWZON-UHFFFAOYSA-N
MW328.06 g/mol
LogP1.99
Rot. Bonds2

About methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate

methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate (PubChem CID 130105555) has the molecular formula C8H7F2IN2O2 and a molecular weight of 328.06 g/mol. Its IUPAC name is methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate
PubChem CID130105555
Molecular FormulaC8H7F2IN2O2
Molecular Weight328.06 g/mol
Exact Mass327.95
IUPAC Namemethyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate
SMILESCOC(=O)c1cc(C(F)F)c(I)c(N)n1
InChIInChI=1S/C8H7F2IN2O2/c1-15-8(14)4-2-3(6(9)10)5(11)7(12)13-4/h2,6H,1H3,(H2,12,13)
InChIKeyYTQICMRAXZWZON-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 130105551
ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate
CID 133102147
methyl 2-(aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100237
ethyl 4-(difluoromethyl)-5,6-diiodopyridine-2-carboxylate
CID 134671919
methyl 6-(difluoromethyl)-5-iodo-4-methylpyridine-2-carboxylate
CID 130086259
methyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 133100734
methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate
CID 134669150
4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylic acid
CID 118818405
methyl 2-amino-4-(difluoromethyl)-5-iodobenzoate
CID 59164445
methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate
CID 134669232
methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085156
methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 130106594

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate?
The IUPAC name of methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate (CID 130105555) is methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate.
What is the SMILES notation for methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate?
The canonical SMILES for methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate is COC(=O)c1cc(C(F)F)c(I)c(N)n1.
What is the InChIKey of methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate?
The InChIKey is YTQICMRAXZWZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2IN2O2/c1-15-8(14)4-2-3(6(9)10)5(11)7(12)13-4/h2,6H,1H3,(H2,12,13).
What are the key properties of methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate?
methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-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 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate is sourced from PubChem (CID 130105555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).