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3-Iodo-1-methyl-1H-indazole

3-Iodo-1-methyl-1H-indazole - CAS 52088-10-5

Catalog:	BB027703
Product Name:	3-Iodo-1-methyl-1H-indazole
CAS:	52088-10-5
Synonyms:	3-iodo-1-methylindazole; 3-iodo-1-methylindazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-iodo-1-methylindazole
Description:	3-Iodo-1-methyl-1H-indazole (CAS# 52088-10-5) is a useful research chemical.
Molecular Weight:	258.06
Molecular Formula:	C8H7IN2
Canonical SMILES:	CN1C2=CC=CC=C2C(=N1)I
InChI:	InChI=1S/C8H7IN2/c1-11-7-5-3-2-4-6(7)8(9)10-11/h2-5H,1H3
InChI Key:	OAQYCAYEBWRHLC-UHFFFAOYSA-N
Boiling Point:	318.4 °C at 760 mmHg
Density:	1.89 g/cm³
LogP:	2.17790

Publication Number	Title	Priority Date
WO-2020119739-A1	2-aminopyrimidine compound and application therefor	20181212
US-2019210973-A1	Compounds and methods for treatment of cystic fibrosis	20180105
WO-2019136314-A1	Compounds and methods for treatment of cystic fibrosis	20180105
EP-3686196-A1	Polycyclic compound acting as ido inhibitor and/or ido-hdac dual inhibitor	20170920
WO-2017096045-A1	Multivalent ras binding compounds	20151202

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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:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.96540
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	257.96540
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3