4-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-sulfinate

C10H12IN2O4S- — CID 70940194

IUPAC4-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-sulfinate
SMILESCC(C)(C)OC(=O)Nc1cnc(S(=O)[O-])cc1I
InChIInChI=1S/C10H13IN2O4S/c1-10(2,3)17-9(14)13-7-5-12-8(18(15)16)4-6(7)11/h4-5H,1-3H3,(H,13,14)(H,15,16)/p-1
InChIKeyKLLVGDKLMNLSQS-UHFFFAOYSA-M
MW383.19 g/mol
LogP2.27
Rot. Bonds2

About 4-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-sulfinate

4-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-sulfinate (PubChem CID 70940194) has the molecular formula C10H12IN2O4S- and a molecular weight of 383.19 g/mol. Its IUPAC name is 4-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-sulfinate.

Molecular Properties

Compound Name4-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-sulfinate
PubChem CID70940194
Molecular FormulaC10H12IN2O4S-
Molecular Weight383.19 g/mol
Exact Mass382.96
IUPAC Name4-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-sulfinate
SMILESCC(C)(C)OC(=O)Nc1cnc(S(=O)[O-])cc1I
InChIInChI=1S/C10H13IN2O4S/c1-10(2,3)17-9(14)13-7-5-12-8(18(15)16)4-6(7)11/h4-5H,1-3H3,(H,13,14)(H,15,16)/p-1
InChIKeyKLLVGDKLMNLSQS-UHFFFAOYSA-M
XLogP2.27
TPSA91.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-sulfinate 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

tert-butyl N-[6-chloro-4-(hydroxymethyl)-3-pyridinyl]carbamate
CID 131744150
tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate
CID 133056033
tert-butyl N-(2-iodo-5-methylphenyl)carbamate
CID 121003345
tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate
CID 155702377
CID 89120768
CID 89120768
tert-butyl N-(4-aminopyrimidin-5-yl)carbamate
CID 45092116
tert-butyl N-(2-bromo-5-nitro-4-pyridinyl)carbamate
CID 155389995
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(6-chloro-4-formyl-3-pyridinyl)carbamate
CID 58524401
2-fluoro-5-iodo-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 171463811
tert-butyl N-(6-bromo-4-formyl-3-pyridinyl)carbamate
CID 130115138
tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate
CID 129224331

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-sulfinate?
The IUPAC name of 4-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-sulfinate (CID 70940194) is 4-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-sulfinate.
What is the SMILES notation for 4-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-sulfinate?
The canonical SMILES for 4-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-sulfinate is CC(C)(C)OC(=O)Nc1cnc(S(=O)[O-])cc1I.
What is the InChIKey of 4-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-sulfinate?
The InChIKey is KLLVGDKLMNLSQS-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13IN2O4S/c1-10(2,3)17-9(14)13-7-5-12-8(18(15)16)4-6(7)11/h4-5H,1-3H3,(H,13,14)(H,15,16)/p-1.
What are the key properties of 4-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-sulfinate?
4-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-sulfinate has a molecular weight of 383.19 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-sulfinate is sourced from PubChem (CID 70940194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).