3-Iodo-7-methyl-1H-indazole - CAS 847906-27-8

Catalog:	BB037313
Product Name:	3-Iodo-7-methyl-1H-indazole
CAS:	847906-27-8
Synonyms:	3-iodo-7-methyl-2H-indazole; 3-iodo-7-methyl-2H-indazole

Technical Data

Patents

Computed Properties

IUPAC Name:	3-iodo-7-methyl-2H-indazole
Description:	3-Iodo-7-methyl-1H-indazole (CAS# 847906-27-8) is a useful research chemical.
Molecular Weight:	258.06
Molecular Formula:	C8H7IN2
Canonical SMILES:	CC1=CC=CC2=C(NN=C12)I
InChI:	InChI=1S/C8H7IN2/c1-5-3-2-4-6-7(5)10-11-8(6)9/h2-4H,1H3,(H,10,11)
InChI Key:	WYUIOANIHMLVPU-UHFFFAOYSA-N
Boiling Point:	368.6 °C at 760 mmHg
Density:	1.933 g/cm³
LogP:	2.47590

Publication Number	Title	Priority Date
EP-3568390-A1	Small molecule activators of nicotinamide phosphoribosyltransferase (nampt) and uses thereof	20170110
WO-2018132372-A1	Small molecule activators of nicotinamide phosphoribosyltransferase (nampt) and uses thereof	20170110
US-2021161873-A1	Small molecule activators of nicotinamide phosphoribosyltransferase (nampt) and uses thereof	20170110
AU-2013361255-A1	Histone demethylase inhibitors	20121219
AU-2013361255-B2	Histone demethylase inhibitors	20121219

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Related Functional Groups

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Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.9654
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	257.9654
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6