1H-Pyrrolo[2,3-B]pyridine-4-carboxylic acid

C8H6N2O2CAS 479553-01-0162.15 g/mol

Open in Covalent MOL file
HNNOOH
Carboxylic acid

Properties

Molecular formula
C8H6N2O2
Molar mass
162.15 g/mol
Exact mass
162.0429 Da
logP
1.26Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
479553-01-0
SMILES
C1=CNC2=NC=CC(=C21)C(=O)O
InChIKey
HPPPHDPVSYYWCH-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c11-8(12)6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)(H,11,12)

Weigh it out

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

Work with 1H-Pyrrolo[2,3-B]pyridine-4-carboxylic acid

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-Chloro-1H-pyrrolo(2,3-b)pyridine-5-carboxylic acid920966-03-662 % similar Indole-4-carboxylic acid2124-55-253 % similar 4-Quinolinecarboxylic acid486-74-853 % similar 3H-Imidazo[4,5-B]pyridine-7-carboxylic acid78316-08-250 % similar 8-Bromoquinoline-4-carboxylic acid121490-67-348 % similar 1H-Pyrrolo[2,3-b]pyridine-4-carbaldehyde728034-12-646 % similar 4-Iodo-7-azaindole319474-34-546 % similar 4-Bromo-1H-pyrrolo[2,3-b]pyridine348640-06-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pyrazolo[1,5-A]pyridine-5-carboxylic acid104468-87-3 3-(5-Azaindole)carboxylic acid119248-43-0 N-Phenylsydnone120-06-9 Imidazo[1,2-A]pyridine-8-carboxylic acid133427-08-4 1H-Pyrrolo[2,3-B]pyridine-2-carboxylic acid136818-50-3 Imidazo(1,2-a)pyridine-6-carboxylic acid139022-25-6 2,3-Dihydro-1,4-phthalazinedione1445-69-8 1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid156270-06-3

Elsewhere

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