4-Methoxypyridine-2-carbonitrile - CAS 36057-44-0

Catalog:	BB022842
Product Name:	4-Methoxypyridine-2-carbonitrile
CAS:	36057-44-0
Synonyms:	4-methoxy-2-pyridinecarbonitrile; 4-methoxypyridine-2-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-methoxypyridine-2-carbonitrile
Description:	4-Methoxypyridine-2-carbonitrile (CAS# 36057-44-0) is a useful research chemical.
Molecular Weight:	134.14
Molecular Formula:	C7H6N2O
Canonical SMILES:	COC1=CC(=NC=C1)C#N
InChI:	InChI=1S/C7H6N2O/c1-10-7-2-3-9-6(4-7)5-8/h2-4H,1H3
InChI Key:	PWGGPHUKKQTXAY-UHFFFAOYSA-N
Boiling Point:	257.9 °C at 760 mmHg
Density:	1.16 g/cm³
MDL:	MFCD08062857
LogP:	0.96188

Publication Number	Title	Priority Date
CN-112279845-A	Aryl or heteroaryl substituted thiadiazole compounds and antibacterial application thereof	20190724
US-2020339559-A1	Heterocyclic compounds and their use for treatment of helminthic infections and diseases	20190426
WO-2020219871-A1	Heterocyclic compounds and their use for treatment of helminthic infections and diseases	20190426
WO-2020219587-A1	Pharmaceutical compounds and therapeutic methods	20190423
WO-2020132636-A1	Analogues of pentamidine and uses therefor	20181220

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Related Functional Groups

Nitrogen Compounds

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

GHS Hazard Statement:	H302+H312+H332 (66.67%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.048012819
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	134.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9