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

C9H9F2IN2O2 — CID 133100734

IUPACmethyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate
SMILESCOC(=O)c1nc(CN)c(I)cc1C(F)F
InChIInChI=1S/C9H9F2IN2O2/c1-16-9(15)7-4(8(10)11)2-5(12)6(3-13)14-7/h2,8H,3,13H2,1H3
InChIKeyOYRRHFHDZPRHDH-UHFFFAOYSA-N
MW342.08 g/mol
LogP1.87
Rot. Bonds3

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

methyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate (PubChem CID 133100734) has the molecular formula C9H9F2IN2O2 and a molecular weight of 342.08 g/mol. Its IUPAC name is methyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate
PubChem CID133100734
Molecular FormulaC9H9F2IN2O2
Molecular Weight342.08 g/mol
Exact Mass341.97
IUPAC Namemethyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate
SMILESCOC(=O)c1nc(CN)c(I)cc1C(F)F
InChIInChI=1S/C9H9F2IN2O2/c1-16-9(15)7-4(8(10)11)2-5(12)6(3-13)14-7/h2,8H,3,13H2,1H3
InChIKeyOYRRHFHDZPRHDH-UHFFFAOYSA-N
XLogP1.87
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.08
LogP ≤ 51.87
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 2-(aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100237
methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 130105551
methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 130106594
methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 130105555
methyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 133098700
methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 133098702
methyl 6-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-3-carboxylate
CID 134662437
methyl 6-(difluoromethyl)-3,4-diiodopyridine-2-carboxylate
CID 134664181
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid
CID 118826934
methyl 2-amino-4-(difluoromethyl)-5-iodobenzoate
CID 59164445
methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 130096872
methyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 133104484

Frequently Asked Questions

What is the IUPAC name of methyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate?
The IUPAC name of methyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate (CID 133100734) is methyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate?
The canonical SMILES for methyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate is COC(=O)c1nc(CN)c(I)cc1C(F)F.
What is the InChIKey of methyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate?
The InChIKey is OYRRHFHDZPRHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2IN2O2/c1-16-9(15)7-4(8(10)11)2-5(12)6(3-13)14-7/h2,8H,3,13H2,1H3.
What are the key properties of methyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate?
methyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate has a molecular weight of 342.08 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate is sourced from PubChem (CID 133100734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).