Methyl 3-Methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate - CAS 1150618-05-5

Name: Methyl 3-Methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB003486
Product Name:	Methyl 3-Methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CAS:	1150618-05-5
Synonyms:	3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid methyl ester; methyl 3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate

Technical Data

IUPAC Name:	methyl 3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
Description:	Methyl 3-Methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (CAS# 1150618-05-5) is a useful research chemical.
Molecular Weight:	191.19
Molecular Formula:	C9H9N3O2
Canonical SMILES:	CC1=C2C=C(C=NC2=NN1)C(=O)OC
InChI:	InChI=1S/C9H9N3O2/c1-5-7-3-6(9(13)14-2)4-10-8(7)12-11-5/h3-4H,1-2H3,(H,10,11,12)
InChI Key:	YJXJLESRRZVQPW-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD12031251
LogP:	1.05290

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.069476538
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.069476538
Rotatable Bond Count:	2
Topological Polar Surface Area:	67.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1