methyl 2-pyridin-3-ylpyridine-3-carboxylate

C12H10N2O2 — CID 14963549

IUPACmethyl 2-pyridin-3-ylpyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-c1cccnc1
InChIInChI=1S/C12H10N2O2/c1-16-12(15)10-5-3-7-14-11(10)9-4-2-6-13-8-9/h2-8H,1H3
InChIKeyYPXXBAVSCPHPDE-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.93
Rot. Bonds2

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

methyl 2-pyridin-3-ylpyridine-3-carboxylate (PubChem CID 14963549) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 2-pyridin-3-ylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-pyridin-3-ylpyridine-3-carboxylate
PubChem CID14963549
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Namemethyl 2-pyridin-3-ylpyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-c1cccnc1
InChIInChI=1S/C12H10N2O2/c1-16-12(15)10-5-3-7-14-11(10)9-4-2-6-13-8-9/h2-8H,1H3
InChIKeyYPXXBAVSCPHPDE-UHFFFAOYSA-N
XLogP1.93
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-pyridin-3-ylpyridine-3-carboxylate?
The IUPAC name of methyl 2-pyridin-3-ylpyridine-3-carboxylate (CID 14963549) is methyl 2-pyridin-3-ylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-pyridin-3-ylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-pyridin-3-ylpyridine-3-carboxylate is COC(=O)c1cccnc1-c1cccnc1.
What is the InChIKey of methyl 2-pyridin-3-ylpyridine-3-carboxylate?
The InChIKey is YPXXBAVSCPHPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-16-12(15)10-5-3-7-14-11(10)9-4-2-6-13-8-9/h2-8H,1H3.
What are the key properties of methyl 2-pyridin-3-ylpyridine-3-carboxylate?
methyl 2-pyridin-3-ylpyridine-3-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyridin-3-ylpyridine-3-carboxylate is sourced from PubChem (CID 14963549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).