3-Iodoisonicotinic acid methyl ester
Properties
- Molecular formula
- C7H6INO2
- Molar mass
- 263.03 g/mol
- Exact mass
- 262.9443 Da
- logP
- 1.47Crippen estimate
- Polar surface area
- 39.2 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
188677-49-8SMILES
COC(=O)C1=C(C=NC=C1)IInChIKey
XZUYSNLMTTZFDY-UHFFFAOYSA-NInChI
InChI=1S/C7H6INO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Methyl 3-iodopyridine-4-carboxylate
Work with 3-Iodoisonicotinic acid methyl ester
Similar compounds
Methyl 4-aminopyridine-3-carboxylate16135-36-762 % similar
3-Amino-isonicotinic acid methyl ester55279-30-662 % similar
Methyl 3-bromoisonicotinate59786-31-162 % similar
Methyl 2-iodobenzoate610-97-960 % similar
Methyl 4-(trifluoromethyl)nicotinate175204-82-754 % similar
Methyl isonicotinate2459-09-851 % similar
Methyl nicotinate93-60-750 % similar
Methyl 5-bromo-2-iodobenzoate181765-86-649 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds