Basic information
- CAS
631910-24-2- Standard SMILES
Cc1cncc(NC(=O)OC(C)(C)C)c1I- InChIKey
SMZDMGYBGAXCQS-UHFFFAOYSA-N- Molecular formula
- C11H15IN2O2
- Average molar mass
- 334.15 g/mol
- Monoisotopic mass
- 334.01783
Names & identifiers
- Preferred name
- (4-Iodo-5-methyl-pyridin-3-yl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-(4-iodo-5-methyl-3-pyridinyl)carbamate
Names & synonyms
(4-Iodo-5-methyl-pyridin-3-yl)-carbamic acid tert-butyl ester631910-24-2SCHEMBL5779547SMZDMGYBGAXCQS-UHFFFAOYSA-NDTXSID501194388tert-Butyl (4-iodo-5-methylpyridin-3-yl)carbamate(4-Iodo-5-methylpyridin-3-yl)carbamic acid tert-butyl ester1,1-Dimethylethyl N-(4-iodo-5-methyl-3-pyridinyl)carbamate
Database identifiers
- CAS
631910-24-2- PubChem CID
- 60026355
- DTXSID
DTXSID501194388
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Related reactions
5 records
Compound notes
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