methyl N-(5-fluoro-4-iodo-2-pyridinyl)carbamate

C7H6FIN2O2 — CID 176837638

IUPACmethyl N-(5-fluoro-4-iodo-2-pyridinyl)carbamate
SMILESCOC(=O)Nc1cc(I)c(F)cn1
InChIInChI=1S/C7H6FIN2O2/c1-13-7(12)11-6-2-5(9)4(8)3-10-6/h2-3H,1H3,(H,10,11,12)
InChIKeyXAZLCHUWQXKEEU-UHFFFAOYSA-N
MW296.04 g/mol
LogP2.00
Rot. Bonds1

About methyl N-(5-fluoro-4-iodo-2-pyridinyl)carbamate

methyl N-(5-fluoro-4-iodo-2-pyridinyl)carbamate (PubChem CID 176837638) has the molecular formula C7H6FIN2O2 and a molecular weight of 296.04 g/mol. Its IUPAC name is methyl N-(5-fluoro-4-iodo-2-pyridinyl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-fluoro-4-iodo-2-pyridinyl)carbamate
PubChem CID176837638
Molecular FormulaC7H6FIN2O2
Molecular Weight296.04 g/mol
Exact Mass295.95
IUPAC Namemethyl N-(5-fluoro-4-iodo-2-pyridinyl)carbamate
SMILESCOC(=O)Nc1cc(I)c(F)cn1
InChIInChI=1S/C7H6FIN2O2/c1-13-7(12)11-6-2-5(9)4(8)3-10-6/h2-3H,1H3,(H,10,11,12)
InChIKeyXAZLCHUWQXKEEU-UHFFFAOYSA-N
XLogP2.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.04
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-(5-fluoro-4-iodo-2-pyridinyl)carbamate?
The IUPAC name of methyl N-(5-fluoro-4-iodo-2-pyridinyl)carbamate (CID 176837638) is methyl N-(5-fluoro-4-iodo-2-pyridinyl)carbamate.
What is the SMILES notation for methyl N-(5-fluoro-4-iodo-2-pyridinyl)carbamate?
The canonical SMILES for methyl N-(5-fluoro-4-iodo-2-pyridinyl)carbamate is COC(=O)Nc1cc(I)c(F)cn1.
What is the InChIKey of methyl N-(5-fluoro-4-iodo-2-pyridinyl)carbamate?
The InChIKey is XAZLCHUWQXKEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FIN2O2/c1-13-7(12)11-6-2-5(9)4(8)3-10-6/h2-3H,1H3,(H,10,11,12).
What are the key properties of methyl N-(5-fluoro-4-iodo-2-pyridinyl)carbamate?
methyl N-(5-fluoro-4-iodo-2-pyridinyl)carbamate has a molecular weight of 296.04 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-fluoro-4-iodo-2-pyridinyl)carbamate is sourced from PubChem (CID 176837638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).