2-Bromo-4-methyl-3-nitropyridine - CAS 23056-45-3

Catalog:	BB017890
Product Name:	2-Bromo-4-methyl-3-nitropyridine
CAS:	23056-45-3
Synonyms:	2-bromo-4-methyl-3-nitropyridine; 2-bromo-4-methyl-3-nitropyridine

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-4-methyl-3-nitropyridine
Description:	2-Bromo-4-methyl-3-nitropyridine (CAS# 23056-45-3) is a useful research chemical.
Molecular Weight:	217.02
Molecular Formula:	C6H5BrN2O2
Canonical SMILES:	CC1=C(C(=NC=C1)Br)[N+](=O)[O-]
InChI:	InChI=1S/C6H5BrN2O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3
InChI Key:	LRYKMSPHPLXBHF-UHFFFAOYSA-N
Boiling Point:	263.3 °C at 760 mmHg
Density:	1.709 g/cm³
Appearance:	Light brown powder
MDL:	MFCD04112527
LogP:	2.58390

Publication Number	Title	Priority Date
CN-112574199-A	Heterocyclic compounds as Kras-G12C inhibitors	20200520
CN-112574199-B	Heterocyclic compounds as Kras-G12C inhibitors	20200520
WO-2019243533-A1	Oga inhibitor compounds	20180621
WO-2019243535-A1	Oga inhibitor compounds	20180621
AU-2019291099-A1	Oga inhibitor compounds	20180621

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Related Functional Groups

Pyridines

[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[942206-23-7]
2,5-Dichloro-3-iodopyridine
[1202402-53-6]
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol
[63585-69-3]
2-Methyl-3-nitropyridine Hydrochloride
[76006-14-9]
3-Chloro-1H-pyrazolo[3,4-c]pyridine

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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:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.95344
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	215.95344
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1