Methyl 6-Iodonicotinate - CAS 173157-33-0

Catalog:	BB012888
Product Name:	Methyl 6-Iodonicotinate
CAS:	173157-33-0
Synonyms:	6-iodo-3-pyridinecarboxylic acid methyl ester; methyl 6-iodopyridine-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 6-iodopyridine-3-carboxylate
Description:	Methyl 6-Iodonicotinate (CAS# 173157-33-0) is a useful research chemical.
Molecular Weight:	263.03
Molecular Formula:	C7H6INO2
Canonical SMILES:	COC(=O)C1=CN=C(C=C1)I
InChI:	InChI=1S/C7H6INO2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3
InChI Key:	CGFVEUUNDFAFHE-UHFFFAOYSA-N
LogP:	1.47280

Publication Number	Title	Priority Date
WO-2021069575-A1	Heteroaryl-substituted pyrazine derivatives as pesticides	20191011
WO-2015168079-A1	Pyrimidine or pyridine derivatives useful as pi3k inhibitors	20140429
WO-2013012915-A1	Heterocyclic compounds and uses thereof	20110719
EP-2571357-B1	Chemical compounds, compositions and methods for kinase modulation	20100521
WO-2009046448-A1	Chemical entities and therapeutic uses thereof	20071004

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Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	262.94433
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	262.94433
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4