methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate

C8H7F2IN2O2 — CID 130105551

IUPACmethyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
SMILESCOC(=O)c1nc(N)c(C(F)F)cc1I
InChIInChI=1S/C8H7F2IN2O2/c1-15-8(14)5-4(11)2-3(6(9)10)7(12)13-5/h2,6H,1H3,(H2,12,13)
InChIKeyMUKUDHHZKHFNNO-UHFFFAOYSA-N
MW328.06 g/mol
LogP1.99
Rot. Bonds2

About methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate

methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate (PubChem CID 130105551) has the molecular formula C8H7F2IN2O2 and a molecular weight of 328.06 g/mol. Its IUPAC name is methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
PubChem CID130105551
Molecular FormulaC8H7F2IN2O2
Molecular Weight328.06 g/mol
Exact Mass327.95
IUPAC Namemethyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
SMILESCOC(=O)c1nc(N)c(C(F)F)cc1I
InChIInChI=1S/C8H7F2IN2O2/c1-15-8(14)5-4(11)2-3(6(9)10)7(12)13-5/h2,6H,1H3,(H2,12,13)
InChIKeyMUKUDHHZKHFNNO-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'}

Analyze methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 119023037
methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 130106594
methyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 133100734
methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 130105555
methyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate
CID 130086271
methyl 3-amino-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134685825
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 2-amino-4-(difluoromethyl)-5-iodobenzoate
CID 59164445
methyl 6-(difluoromethyl)-3,4-diiodopyridine-2-carboxylate
CID 134664181
methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate
CID 134669150
ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134664601
methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate
CID 130080291

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate?
The IUPAC name of methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate (CID 130105551) is methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate.
What is the SMILES notation for methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate?
The canonical SMILES for methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate is COC(=O)c1nc(N)c(C(F)F)cc1I.
What is the InChIKey of methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate?
The InChIKey is MUKUDHHZKHFNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2IN2O2/c1-15-8(14)5-4(11)2-3(6(9)10)7(12)13-5/h2,6H,1H3,(H2,12,13).
What are the key properties of methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate?
methyl 6-amino-5-(difluoromethyl)-3-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-5-(difluoromethyl)-3-iodopyridine-2-carboxylate is sourced from PubChem (CID 130105551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).