tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate

C10H12ClIN2O2 — CID 90341107

IUPACtert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Cl)nc1I
InChIInChI=1S/C10H12ClIN2O2/c1-10(2,3)16-9(15)13-6-4-5-7(11)14-8(6)12/h4-5H,1-3H3,(H,13,15)
InChIKeyUUXUAJLSLHSTHL-UHFFFAOYSA-N
MW354.58 g/mol
LogP3.69
Rot. Bonds1

About tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate

tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate (PubChem CID 90341107) has the molecular formula C10H12ClIN2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate
PubChem CID90341107
Molecular FormulaC10H12ClIN2O2
Molecular Weight354.58 g/mol
Exact Mass353.96
IUPAC Nametert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Cl)nc1I
InChIInChI=1S/C10H12ClIN2O2/c1-10(2,3)16-9(15)13-6-4-5-7(11)14-8(6)12/h4-5H,1-3H3,(H,13,15)
InChIKeyUUXUAJLSLHSTHL-UHFFFAOYSA-N
XLogP3.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 53.69
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-chloro-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 130453693
tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate
CID 68582591
tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
CID 82342800
tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate
CID 54121498
tert-butyl N-(4-iodo-2-methylphenyl)carbamate
CID 23074904
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
tert-butyl N-(3-amino-2-chlorophenyl)carbamate
CID 130506591
tert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate
CID 155388751
[5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
CID 144745130
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
tert-butyl N-(2-iodo-5-methylphenyl)carbamate
CID 121003345

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate (CID 90341107) is tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(Cl)nc1I.
What is the InChIKey of tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate?
The InChIKey is UUXUAJLSLHSTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClIN2O2/c1-10(2,3)16-9(15)13-6-4-5-7(11)14-8(6)12/h4-5H,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate?
tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate has a molecular weight of 354.58 g/mol, XLogP of 3.69, 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-chloro-2-iodo-3-pyridinyl)carbamate is sourced from PubChem (CID 90341107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).