tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate

C10H12FIN2O2 — CID 140956975

IUPACtert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(I)c(F)n1
InChIInChI=1S/C10H12FIN2O2/c1-10(2,3)16-9(15)14-7-5-4-6(12)8(11)13-7/h4-5H,1-3H3,(H,13,14,15)
InChIKeyDILYXXQFMBFKAC-UHFFFAOYSA-N
MW338.12 g/mol
LogP3.17
Rot. Bonds1

About tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate

tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate (PubChem CID 140956975) has the molecular formula C10H12FIN2O2 and a molecular weight of 338.12 g/mol. Its IUPAC name is tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate
PubChem CID140956975
Molecular FormulaC10H12FIN2O2
Molecular Weight338.12 g/mol
Exact Mass337.99
IUPAC Nametert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(I)c(F)n1
InChIInChI=1S/C10H12FIN2O2/c1-10(2,3)16-9(15)14-7-5-4-6(12)8(11)13-7/h4-5H,1-3H3,(H,13,14,15)
InChIKeyDILYXXQFMBFKAC-UHFFFAOYSA-N
XLogP3.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate
CID 135132369
tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate
CID 19358376
tert-butyl N-(5-bromo-6-methoxy-2-pyridinyl)carbamate
CID 156516754
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate
CID 10681361
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate
CID 123779338
tert-butyl N-(2-iodo-5-methylphenyl)carbamate
CID 121003345
tert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate
CID 171682686
2-[3-bromo-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetic acid
CID 68842909
tert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate
CID 18926411
tert-butyl N-(5-bromo-6-nitro-2-pyridinyl)carbamate
CID 56924569

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate (CID 140956975) is tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(I)c(F)n1.
What is the InChIKey of tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate?
The InChIKey is DILYXXQFMBFKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FIN2O2/c1-10(2,3)16-9(15)14-7-5-4-6(12)8(11)13-7/h4-5H,1-3H3,(H,13,14,15).
What are the key properties of tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate?
tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate has a molecular weight of 338.12 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate is sourced from PubChem (CID 140956975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).