5-Methylpyridine-2-carboxaldehyde - CAS 4985-92-6

Catalog:	BB026846
Product Name:	5-Methylpyridine-2-carboxaldehyde
CAS:	4985-92-6
Synonyms:	5-methyl-2-pyridinecarboxaldehyde; 5-methylpyridine-2-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	5-methylpyridine-2-carbaldehyde
Description:	5-Methylpyridine-2-carboxaldehyde (CAS# 4985-92-6) is a useful research chemical.
Molecular Weight:	121.14
Molecular Formula:	C7H7NO
Canonical SMILES:	CC1=CN=C(C=C1)C=O
InChI:	InChI=1S/C7H7NO/c1-6-2-3-7(5-9)8-4-6/h2-5H,1H3
InChI Key:	SARODJOLCPBJHK-UHFFFAOYSA-N
Boiling Point:	208.781 °C at 760 mmHg
Density:	1.095 g/cm³
LogP:	1.20250

Publication Number	Title	Priority Date
WO-2021119265-A1	Antagonists of the muscarinic acetylcholine receptor m4	20191210
CN-110423234-A	Thiosemicarbazone derivative of the segment containing indoles and its preparation method and application	20190815
CN-110423234-B	Thiosemicarbazone derivative containing indole fragment and preparation method and application thereof	20190815
DE-102019210986-A1	Increasing the stability of agents for treating keratin material	20190724
WO-2021013419-A1	Increasing the stability of agents for treating keratin material	20190724

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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+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	121.052763847
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	121.052763847
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2