chempirical

1H-Indazole-6-carboxylic acid

C8H6N2O2CAS 704-91-6162.15 g/mol

Open in Covalent MOL file
OHOHNN
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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
704-91-6
SMILES
C1=CC2=C(C=C1C(=O)O)NN=C2
InChIKey
DNCVTVVLMRHJCJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c11-8(12)5-1-2-6-4-9-10-7(6)3-5/h1-4H,(H,9,10)(H,11,12)

Weigh it out

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Work with 1H-Indazole-6-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

Methyl 1H-indazole-6-carboxylate170487-40-859 % similar 1H-Indole-6-carboxylic acid1670-82-257 % similar 2,6-Naphthalenedicarboxylic acid1141-38-456 % similar 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid952182-02-455 % similar 4-Bromo-1H-indazole-6-carboxylic acid885523-43-354 % similar 6-Isoquinolinecarboxylic acid106778-43-251 % similar 1H-Benzimidazole-5-carboxylic acid15788-16-650 % similar 2-Naphthoic acid93-09-450 % 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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