5-Fluoro-4-iodo-1H-pyrrolo[2,3-B]pyridine

C₇H₄FIN₂CAS 1015610-23-7262.03 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₄FIN₂
Molar mass: 262.03 g/mol
Exact mass: 261.9403 Da
logP: 2.31Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

1015610-23-7

SMILES

C1=CNC2=NC=C(C(=C21)I)F

InChIKey

ZTZNXOHCFQLAGN-UHFFFAOYSA-N

InChI

InChI=1S/C7H4FIN2/c8-5-3-11-7-4(6(5)9)1-2-10-7/h1-3H,(H,10,11)

Weigh it out

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Work with 5-Fluoro-4-iodo-1H-pyrrolo[2,3-B]pyridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Iodo-7-azaindole319474-34-547 % similar 4-Methyl-1H-pyrrolo(2,3-b)pyridine824-24-843 % similar 7-Deazahypoxanthine3680-71-540 % similar 4-Bromo-1H-pyrrolo[2,3-b]pyridine348640-06-239 % similar 4-Chloro-7-azaindole55052-28-339 % similar 5-Fluoro-1H-pyrrolo[2,3-B]pyridine866319-00-839 % similar 4-Fluoroindole387-43-937 % similar 2,4-Difluoro-3-iodopyridine837364-88-237 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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