Ethyl 2-Methyl-5-nitronicotinate - CAS 51984-71-5

Catalog:	BB027669
Product Name:	Ethyl 2-Methyl-5-nitronicotinate
CAS:	51984-71-5
Synonyms:	2-methyl-5-nitro-3-pyridinecarboxylic acid ethyl ester; ethyl 2-methyl-5-nitropyridine-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-methyl-5-nitropyridine-3-carboxylate
Description:	Ethyl 2-Methyl-5-nitronicotinate (CAS# 51984-71-5) is a useful research chemical compound.
Molecular Weight:	210.19
Molecular Formula:	C9H10N2O4
Canonical SMILES:	CCOC(=O)C1=CC(=CN=C1C)[N+](=O)[O-]
InChI:	InChI=1S/C9H10N2O4/c1-3-15-9(12)8-4-7(11(13)14)5-10-6(8)2/h4-5H,3H2,1-2H3
InChI Key:	PBYXNPIXRRSBFZ-UHFFFAOYSA-N
Boiling Point:	309.6 °C at 760 mmHg
Density:	1.272 g/cm³
MDL:	MFCD00753850
LogP:	1.99810

Publication Number	Title	Priority Date
AU-2008289135-A1	2-heteroarylamino-pyrimidine derivatives as kinase inhibitors	20070822
AU-2008289135-B2	2-heteroarylamino-pyrimidine derivatives as kinase inhibitors	20070822
CA-2697077-C	2-heteroarylamino-pyrimidine derivatives as kinase inhibitors	20070822
EA-017392-B1	2-heteroarylamino-pyrimidine derivatives as kinase inhibitors	20070822
EP-2190836-A1	2-heteroarylamino-pyrimidine derivatives as kinase inhibitors	20070822

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Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.0640568
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.0640568
Rotatable Bond Count:	3
Topological Polar Surface Area:	85
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3