5-(tert-Butyl)-2-chloropyridine - CAS 102236-19-1

Catalog:	BB000817
Product Name:	5-(tert-Butyl)-2-chloropyridine
CAS:	102236-19-1
Synonyms:	5-tert-butyl-2-chloropyridine; 5-tert-butyl-2-chloropyridine

Technical Data

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Computed Properties

IUPAC Name:	5-tert-butyl-2-chloropyridine
Description:	5-(tert-Butyl)-2-chloropyridine (CAS# 102236-19-1 ) is a useful research chemical.
Molecular Weight:	169.65
Molecular Formula:	C9H12ClN
Canonical SMILES:	CC(C)(C)C1=CN=C(C=C1)Cl
InChI:	InChI=1S/C9H12ClN/c1-9(2,3)7-4-5-8(10)11-6-7/h4-6H,1-3H3
InChI Key:	YVTZMSAOOSULPO-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	3.03250

Publication Number	Title	Priority Date
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	20191224
US-2021171461-A1	Masp-2 inhibitors and methods of use	20191204
US-2020407327-A1	Tead inhibitors and uses thereof	20190531
WO-2020243415-A2	Tead inhibitors and uses thereof	20190531
WO-2020035565-A1	Pesticidally-active mesoionic bicyclic heteroaromatic compounds	20180817

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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:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.0658271
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	169.0658271
Rotatable Bond Count:	1
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5