3-(2-Chloro-4-pyrimidyl)indole - CAS 945016-63-7

Catalog:	BB041393
Product Name:	3-(2-Chloro-4-pyrimidyl)indole
CAS:	945016-63-7
Synonyms:	3-(2-chloro-4-pyrimidinyl)-1H-indole; 3-(2-chloropyrimidin-4-yl)-1H-indole

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(2-chloropyrimidin-4-yl)-1H-indole
Description:	3-(2-Chloro-4-pyrimidyl)indole (CAS# 945016-63-7 ) is a useful research chemical.
Molecular Weight:	229.67
Molecular Formula:	C12H8ClN3
Canonical SMILES:	C1=CC=C2C(=C1)C(=CN2)C3=NC(=NC=C3)Cl
InChI:	InChI=1S/C12H8ClN3/c13-12-14-6-5-11(16-12)9-7-15-10-4-2-1-3-8(9)10/h1-7,15H
InChI Key:	YJGKIMCJZOZIOQ-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	3.27830

Publication Number	Title	Priority Date
CN-112480083-A	AZD9291 derivative containing alkynyl and preparation method and application thereof	20201106
CN-111909135-A	AZD9291 deutero-mesylate new salt form and preparation method thereof	20200815
CN-111362924-A	Deuterated pyrimidine derivatives and uses thereof	20200421
CN-111362924-B	Deuterated pyrimidine derivatives and uses thereof	20200421
CN-111303123-A	2- (2,4, 5-substituted anilino) pyrimidine compound and application thereof	20200331

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Related Functional Groups

Indoles

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1884330-89-5]
1-Methyl-1H-indole-5-D
[109021-59-2]
7-Methoxy-1H-indole-3-carbaldehyde
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[1375064-59-7]
Ethyl 3-Bromoindole-1-carboxylate
[6960-46-9]
Ethyl 7-nitroindole-2-carboxylate

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Complexity:	248
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.040675
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.040675
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3