3-(2-Chloro-4-pyrimidyl)-1-methylindole - CAS 1032452-86-0

Catalog:	BB001056
Product Name:	3-(2-Chloro-4-pyrimidyl)-1-methylindole
CAS:	1032452-86-0
Synonyms:	3-(2-chloro-4-pyrimidinyl)-1-methylindole; 3-(2-chloropyrimidin-4-yl)-1-methylindole

Technical Data

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Computed Properties

IUPAC Name:	3-(2-chloropyrimidin-4-yl)-1-methylindole
Description:	3-(2-Chloro-4-pyrimidyl)-1-methylindole (CAS# 1032452-86-0) is a useful research chemical.
Molecular Weight:	243.69
Molecular Formula:	C13H10ClN3
Canonical SMILES:	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)Cl
InChI:	InChI=1S/C13H10ClN3/c1-17-8-10(9-4-2-3-5-12(9)17)11-6-7-15-13(14)16-11/h2-8H,1H3
InChI Key:	IIBWXYHPBMUNJP-UHFFFAOYSA-N
Appearance:	Powder
MDL:	MFCD26397861
LogP:	3.28870

Publication Number	Title	Priority Date
CN-111362924-A	Deuterated pyrimidine derivatives and uses thereof	20200421
CN-111362924-B	Deuterated pyrimidine derivatives and uses thereof	20200421
CN-113354622-A	P-phenylenediamine LSD1 inhibitor and preparation method thereof	20200306
WO-2021175079-A1	P-phenylenediamine lsd1 inhibitor and preparation method therefor	20200306
WO-2020233669-A1	Indole derivative-containing inhibitor, preparation method therefor and application thereof	20190522

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	273
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.056325
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	243.056325
Rotatable Bond Count:	1
Topological Polar Surface Area:	30.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9