methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate

C19H15N3O4 — CID 11175498

IUPACmethyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cccc(-c3cccc(C(=O)OC)n3)n2)n1
InChIInChI=1S/C19H15N3O4/c1-25-18(23)16-10-4-8-14(21-16)12-6-3-7-13(20-12)15-9-5-11-17(22-15)19(24)26-2/h3-11H,1-2H3
InChIKeyXFDYQKRAKRNNIO-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.78
Rot. Bonds4

About methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate

methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate (PubChem CID 11175498) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate
PubChem CID11175498
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Namemethyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cccc(-c3cccc(C(=O)OC)n3)n2)n1
InChIInChI=1S/C19H15N3O4/c1-25-18(23)16-10-4-8-14(21-16)12-6-3-7-13(20-12)15-9-5-11-17(22-15)19(24)26-2/h3-11H,1-2H3
InChIKeyXFDYQKRAKRNNIO-UHFFFAOYSA-N
XLogP2.78
TPSA91.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Chromium(III) picolinate
CID 151932
Diethyl dipicolinate
CID 254510
6-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 4019172
Dibutyl pyridine-2,6-dicarboxylate
CID 96561
Dimethyl pyridine-2,6-carboxylate
CID 79549
Methyl 6-(7-amino-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate
CID 13891338
Methyl 6-(6-(7-Phenylheptanoyl)-pyridazin-3-yl)-picolinate
CID 24950528
Ethyl 6-acetylpyridine-2-carboxylate
CID 11586434
3,6,9,12,15-Pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
CID 326421
Methyl 6-methylpyridine-2-carboxylate
CID 73022
2,2'-Bipyridine-6,6'-dicarboxylic Acid
CID 9959961
Ethyl 6-methylpyridine-2-carboxylate
CID 564597

Frequently Asked Questions

What is the IUPAC name of methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate (CID 11175498) is methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2cccc(-c3cccc(C(=O)OC)n3)n2)n1.
What is the InChIKey of methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate?
The InChIKey is XFDYQKRAKRNNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-25-18(23)16-10-4-8-14(21-16)12-6-3-7-13(20-12)15-9-5-11-17(22-15)19(24)26-2/h3-11H,1-2H3.
What are the key properties of methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate?
methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate has a molecular weight of 349.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[6-(6-methoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate is sourced from PubChem (CID 11175498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).