methyl 4-(1,2-dihydroxypropan-2-yl)-6-methoxy-5-(2-methoxypropan-2-yl)pyridine-2-carboxylate

C15H23NO6 — CID 22970012

IUPACmethyl 4-(1,2-dihydroxypropan-2-yl)-6-methoxy-5-(2-methoxypropan-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C(C)(O)CO)c(C(C)(C)OC)c(OC)n1
InChIInChI=1S/C15H23NO6/c1-14(2,22-6)11-9(15(3,19)8-17)7-10(13(18)21-5)16-12(11)20-4/h7,17,19H,8H2,1-6H3
InChIKeyNPOBITPISICMJW-UHFFFAOYSA-N
MW313.35 g/mol
LogP0.96
Rot. Bonds6

About methyl 4-(1,2-dihydroxypropan-2-yl)-6-methoxy-5-(2-methoxypropan-2-yl)pyridine-2-carboxylate

methyl 4-(1,2-dihydroxypropan-2-yl)-6-methoxy-5-(2-methoxypropan-2-yl)pyridine-2-carboxylate (PubChem CID 22970012) has the molecular formula C15H23NO6 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl 4-(1,2-dihydroxypropan-2-yl)-6-methoxy-5-(2-methoxypropan-2-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1,2-dihydroxypropan-2-yl)-6-methoxy-5-(2-methoxypropan-2-yl)pyridine-2-carboxylate
PubChem CID22970012
Molecular FormulaC15H23NO6
Molecular Weight313.35 g/mol
Exact Mass313.15
IUPAC Namemethyl 4-(1,2-dihydroxypropan-2-yl)-6-methoxy-5-(2-methoxypropan-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C(C)(O)CO)c(C(C)(C)OC)c(OC)n1
InChIInChI=1S/C15H23NO6/c1-14(2,22-6)11-9(15(3,19)8-17)7-10(13(18)21-5)16-12(11)20-4/h7,17,19H,8H2,1-6H3
InChIKeyNPOBITPISICMJW-UHFFFAOYSA-N
XLogP0.96
TPSA98.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-(1,2-dihydroxypropan-2-yl)-6-methoxy-5-(2-methoxypropan-2-yl)pyridine-2-carboxylate with MolForge

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Related Compounds

4-(2-Methoxyphenyl)pyridine-2,6-dicarboxylic acid
CID 12843430
4-(2,4,6-Trimethoxy-phenyl)-pyridine-2,6-dicarboxylic acid
CID 23052248
(S)-methyl 4-(1,2-dihydroxyethyl)-6-(4-(4-fluorophenoxy)phenyl)picolinate
CID 66668464
Methyl 4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
CID 66668465
methyl 4-[(1R)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
CID 140232251
methyl 4-ethyl-8-methoxy-1H-pyrano[3,4-c]pyridine-6-carboxylate
CID 16658320
4-(Difluoromethyl)-5-methoxy-6-(trifluoromethyl)picolinic acid
CID 118818363
4-(Difluoromethyl)-5,6-dimethoxypicolinic acid
CID 118828805
4-(Difluoromethyl)-5-methoxy-6-methylpicolinic acid
CID 118828946
2-(Difluoromethyl)-3-methoxy-4-methylpyridine-6-carboxylic acid
CID 118854188
6-Methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134631302
6-Methoxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134668167

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,2-dihydroxypropan-2-yl)-6-methoxy-5-(2-methoxypropan-2-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(1,2-dihydroxypropan-2-yl)-6-methoxy-5-(2-methoxypropan-2-yl)pyridine-2-carboxylate (CID 22970012) is methyl 4-(1,2-dihydroxypropan-2-yl)-6-methoxy-5-(2-methoxypropan-2-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(1,2-dihydroxypropan-2-yl)-6-methoxy-5-(2-methoxypropan-2-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(1,2-dihydroxypropan-2-yl)-6-methoxy-5-(2-methoxypropan-2-yl)pyridine-2-carboxylate is COC(=O)c1cc(C(C)(O)CO)c(C(C)(C)OC)c(OC)n1.
What is the InChIKey of methyl 4-(1,2-dihydroxypropan-2-yl)-6-methoxy-5-(2-methoxypropan-2-yl)pyridine-2-carboxylate?
The InChIKey is NPOBITPISICMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO6/c1-14(2,22-6)11-9(15(3,19)8-17)7-10(13(18)21-5)16-12(11)20-4/h7,17,19H,8H2,1-6H3.
What are the key properties of methyl 4-(1,2-dihydroxypropan-2-yl)-6-methoxy-5-(2-methoxypropan-2-yl)pyridine-2-carboxylate?
methyl 4-(1,2-dihydroxypropan-2-yl)-6-methoxy-5-(2-methoxypropan-2-yl)pyridine-2-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,2-dihydroxypropan-2-yl)-6-methoxy-5-(2-methoxypropan-2-yl)pyridine-2-carboxylate is sourced from PubChem (CID 22970012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).