Methyl 6-(Hydroxymethyl)-3-methyl-4-phenylpicolinate - CAS 64034-96-4

Catalog:	BB056491
Product Name:	Methyl 6-(Hydroxymethyl)-3-methyl-4-phenylpicolinate
CAS:	64034-96-4
Synonyms:	6-(Hydroxymethyl)-3-methyl-4-phenyl-2-Pyridinecarboxylic Acid Methyl Ester

Technical Data

IUPAC Name:	methyl 6-(hydroxymethyl)-3-methyl-4-phenylpyridine-2-carboxylate
Description:	Methyl 6-(Hydroxymethyl)-3-methyl-4-phenylpicolinate, can be used in the synthesis of more complex chemical compounds such as in synthesis of the pyridine C ring of the antitumor agent and antibiotic streptonigrin (I).
Molecular Weight:	257.28
Molecular Formula:	C15H15NO3
Canonical SMILES:	CC1=C(C=C(N=C1C(=O)OC)CO)C2=CC=CC=C2
InChI:	InChI=1S/C15H15NO3/c1-10-13(11-6-4-3-5-7-11)8-12(9-17)16-14(10)15(18)19-2/h3-8,17H,9H2,1-2H3
InChI Key:	QIJXVTMWJOTMHH-UHFFFAOYSA-N
References:	Kim D. et al. J. Org. Chem. vol. 43, p: 121-5 (1978).

Complexity:	302
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.10519334
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	257.10519334
Rotatable Bond Count:	4
Topological Polar Surface Area:	59.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2