methyl 6-pyridin-4-ylpyridine-2-carboxylate

C12H10N2O2 — CID 46317482

IUPACmethyl 6-pyridin-4-ylpyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2ccncc2)n1
InChIInChI=1S/C12H10N2O2/c1-16-12(15)11-4-2-3-10(14-11)9-5-7-13-8-6-9/h2-8H,1H3
InChIKeySPMLNKUWPNTSED-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.93
Rot. Bonds2

About methyl 6-pyridin-4-ylpyridine-2-carboxylate

methyl 6-pyridin-4-ylpyridine-2-carboxylate (PubChem CID 46317482) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 6-pyridin-4-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-pyridin-4-ylpyridine-2-carboxylate
PubChem CID46317482
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Namemethyl 6-pyridin-4-ylpyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2ccncc2)n1
InChIInChI=1S/C12H10N2O2/c1-16-12(15)11-4-2-3-10(14-11)9-5-7-13-8-6-9/h2-8H,1H3
InChIKeySPMLNKUWPNTSED-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 6-pyridin-4-ylpyridine-2-carboxylate?
The IUPAC name of methyl 6-pyridin-4-ylpyridine-2-carboxylate (CID 46317482) is methyl 6-pyridin-4-ylpyridine-2-carboxylate.
What is the SMILES notation for methyl 6-pyridin-4-ylpyridine-2-carboxylate?
The canonical SMILES for methyl 6-pyridin-4-ylpyridine-2-carboxylate is COC(=O)c1cccc(-c2ccncc2)n1.
What is the InChIKey of methyl 6-pyridin-4-ylpyridine-2-carboxylate?
The InChIKey is SPMLNKUWPNTSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-16-12(15)11-4-2-3-10(14-11)9-5-7-13-8-6-9/h2-8H,1H3.
What are the key properties of methyl 6-pyridin-4-ylpyridine-2-carboxylate?
methyl 6-pyridin-4-ylpyridine-2-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 6-pyridin-4-ylpyridine-2-carboxylate is sourced from PubChem (CID 46317482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).