methyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate

C13H12N2O3 — CID 46317643

IUPACmethyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC)ccc1-c1cccnc1
InChIInChI=1S/C13H12N2O3/c1-17-11-6-5-10(9-4-3-7-14-8-9)12(15-11)13(16)18-2/h3-8H,1-2H3
InChIKeySMHQZQBNRONGJG-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.94
Rot. Bonds3

About methyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate

methyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate (PubChem CID 46317643) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate
PubChem CID46317643
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Namemethyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC)ccc1-c1cccnc1
InChIInChI=1S/C13H12N2O3/c1-17-11-6-5-10(9-4-3-7-14-8-9)12(15-11)13(16)18-2/h3-8H,1-2H3
InChIKeySMHQZQBNRONGJG-UHFFFAOYSA-N
XLogP1.94
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-methoxy-3-pyridin-4-ylpyridine-2-carboxylate
CID 46317644
methyl 6-fluoro-3-pyridin-3-ylpyridine-2-carboxylate
CID 46317611
methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate
CID 46317548
methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 134635686
methyl 3-pyridin-3-ylpyridine-4-carboxylate
CID 46317485
methyl 4-methoxy-3-pyridin-3-ylbenzoate
CID 46317451
methyl 4-pyridin-3-yl-1H-pyrazole-5-carboxylate
CID 14171451
methyl 5-nitro-2-pyridin-3-ylbenzoate
CID 46317465
methyl 3-amino-6-methoxypyridine-2-carboxylate;hydrochloride
CID 71544878
methyl 4,5-difluoro-2-pyridin-3-ylbenzoate
CID 46317415
4-methoxycarbonyl-2-pyridin-3-ylbenzoate
CID 170994448
(111C)methyl pyridine-3-carboxylate
CID 11309537

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate?
The IUPAC name of methyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate (CID 46317643) is methyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate.
What is the SMILES notation for methyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate?
The canonical SMILES for methyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate is COC(=O)c1nc(OC)ccc1-c1cccnc1.
What is the InChIKey of methyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate?
The InChIKey is SMHQZQBNRONGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-17-11-6-5-10(9-4-3-7-14-8-9)12(15-11)13(16)18-2/h3-8H,1-2H3.
What are the key properties of methyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate?
methyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate has a molecular weight of 244.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-3-pyridin-3-ylpyridine-2-carboxylate is sourced from PubChem (CID 46317643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).