Methyl 1-methyl-1H-indazole-6-carboxylate

HCID 22598983CAS 1007219-73-9

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)c1ccc2cnn(C)c2c1
InChIKey: RPHJVNKZUSDUDA-UHFFFAOYSA-N
Molecular formula: C10H10N2O2
Average molar mass: 190.2 g/mol
Monoisotopic mass: 190.07422756

Names & identifiers

Preferred name: Methyl 1-methyl-1H-indazole-6-carboxylate
IUPAC: methyl 1-methylindazole-6-carboxylate
English name: Methyl 1-methylindazole-6-carboxylate
Molecular formula: C10H10N2O2
Molecular weight: 190.2

Names & synonyms

1007219-73-9Methyl 1-methyl-1H-indazole-6-carboxylateDTXSID40626763RefChem:353357DTXCID10577516814-500-91-Methyl-1H-indazole-6-carboxylic acid methyl estermethyl 1-methylindazole-6-carboxylateMFCD111094031H-Indazole-6-carboxylic acid, 1-methyl-, methyl esterMethyl 1-methyl-1H-indazole-6-carboxylate, 1007219-73-9, methyl 1-methylindazole-6-carboxylate, 6-(Methoxycarbonyl)-1-methyl-1H-indazole, SureCN4261983, CTK6J0364, ANW-74203, ZINC30678046, AKOS005258490, AG-C-12093, OR30720, PB14894, RP03695, 6-METHOXYCARBONYL-1-METHYLINDAZOLE, AK-79253, AM802826, KB-48658, AB1010337, FT-0685528, Y5138Methyl1-methyl-1H-indazole-6-carboxylate

Show more names

Methyl 1-Methyl-1H-indazol-6-carboxylate6-(Methoxycarbonyl)-1-methyl-1H-indazoleethyl 2-(1-methyl-1H-indazol-6-yl)acetate1-Methyl-1H-indazol-6-carboxylic acid Methyl ester

SCHEMBL4261983CHEMBL4575142SCHEMBL27177545SCHEMBL29491497RPHJVNKZUSDUDA-UHFFFAOYSA-NAKOS005258490PB14894PS-4762

Database identifiers

CAS: 1007219-73-9
PubChem CID: 22598983
DTXSID: DTXSID40626763
ChEMBL: CHEMBL4575142
EC Number: 814-500-9

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 44.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 232

Physicochemical properties

Density: 1.23 · 1.23±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.: Sealed in dry,Room Temperature
form: powder
color: Yellow
InChI: 1S/C10H10N2O2/c1-12-9-5-7(10(13)14-2)3-4-8(9)6-11-12/h3-6H,1-2H3
InChIKey: RPHJVNKZUSDUDA-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc2cnn(C)c2c1
CAS DataBase Reference: 1007219 · 1007219-73-9
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
WGK Germany: 3 · 3
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications · 1 item

Uses1-Methyl-1H-indazole-6-carboxylic Acid Methyl Ester is a useful synthetic intermediate. It is an analog of Indazole-3-carboxylic Acid Methyl Ester (I505250) which has potential as application of N-benzoylindazole derivatives and analogues as inhibitors of human neutrophil elastase. Indazole-3-carboxylic Acid Methyl Ester (I505250) is also used in the preparation of indazole-pyridine based protain kinase/Akt inhibitors.