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

C₇H₅FN₂CAS 866319-00-8136.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅FN₂
Molar mass: 136.13 g/mol
Exact mass: 136.0437 Da
logP: 1.70Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H318 Causes serious eye damage97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

866319-00-8

SMILES

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

InChIKey

BALBNSFYMXBWNM-UHFFFAOYSA-N

InChI

InChI=1S/C7H5FN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 5-Fluoro-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

1H-Pyrrolo[2,3-B]pyridin-5-ylamine100960-07-455 % similar 5-Chloro-7-azaindole866546-07-855 % similar 5-Methoxy-1H-pyrrolo[2,3-B]pyridine183208-36-850 % similar 1H-Pyrrolo(2,3-b)pyridine-5-carbonitrile517918-95-550 % similar 5-Fluoroindole399-52-048 % similar 5-Nitro-1H-pyrrolo[2,3-B]pyridine101083-92-546 % similar 5,7-Difluoro-1H-indole301856-25-745 % similar 1H-Pyrrolo[2,3-b]pyridine271-63-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Amino-3-fluorobenzonitrile115661-37-5 7-Fluoro-imidazo[1,2-A]pyridine1260903-17-0 3-Amino-5-fluorobenzonitrile210992-28-2 5-Cyano-2-fluoro-3-picoline261625-67-6 4-Fluoroindazole341-23-1 7-Fluoro-1H-indazole341-24-2 6-Fluoro-1H-indazole348-25-4 5-Fluoro-1H-indazole348-26-5

Elsewhere

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