2-(4-Bromo-2-pyridyl)-2-propanol - CAS 477252-20-3

Catalog:	BB026372
Product Name:	2-(4-Bromo-2-pyridyl)-2-propanol
CAS:	477252-20-3
Synonyms:	2-(4-bromo-2-pyridinyl)-2-propanol; 2-(4-bromopyridin-2-yl)propan-2-ol

Technical Data

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Computed Properties

IUPAC Name:	2-(4-bromopyridin-2-yl)propan-2-ol
Description:	2-(4-Bromo-2-pyridyl)-2-propanol (CAS# 477252-20-3) is used in preparation of pyrazolo[1,5-a]pyridine-derivatives as TGF-beta receptor inhibitor for prevention/treatment of TGF-betaR1(ALK5)-mediated diseases.
Molecular Weight:	216.08
Molecular Formula:	C8H10BrNO
Canonical SMILES:	CC(C)(C1=NC=CC(=C1)Br)O
InChI:	InChI=1S/C8H10BrNO/c1-8(2,11)7-5-6(9)3-4-10-7/h3-5,11H,1-2H3
InChI Key:	CLVXFESSKJLAAE-UHFFFAOYSA-N
LogP:	2.07150

Publication Number	Title	Priority Date
CN-112812105-A	Aminopyridyloxypyrazole derivative and preparation method and application thereof	20200324
WO-2021129621-A1	Pyrazole compounds	20191223
WO-2021097122-A1	Srebp inhibitor comprising a thiophene central ring	20191113
WO-2021068698-A1	Iso-citrate dehydrogenase (idh) inhibitor	20191012
WO-2021057975-A1	Mutant idh2 inhibitor and application thereof	20190929

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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:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.99458
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.99458
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3