methyl 5-(3-methyl-2-pyridinyl)pyridine-2-carboxylate

C13H12N2O2 — CID 170546048

IUPACmethyl 5-(3-methyl-2-pyridinyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ncccc2C)cn1
InChIInChI=1S/C13H12N2O2/c1-9-4-3-7-14-12(9)10-5-6-11(15-8-10)13(16)17-2/h3-8H,1-2H3
InChIKeyQZPFCHYIFOOGSQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.24
Rot. Bonds2

About methyl 5-(3-methyl-2-pyridinyl)pyridine-2-carboxylate

methyl 5-(3-methyl-2-pyridinyl)pyridine-2-carboxylate (PubChem CID 170546048) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 5-(3-methyl-2-pyridinyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-methyl-2-pyridinyl)pyridine-2-carboxylate
PubChem CID170546048
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Namemethyl 5-(3-methyl-2-pyridinyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ncccc2C)cn1
InChIInChI=1S/C13H12N2O2/c1-9-4-3-7-14-12(9)10-5-6-11(15-8-10)13(16)17-2/h3-8H,1-2H3
InChIKeyQZPFCHYIFOOGSQ-UHFFFAOYSA-N
XLogP2.24
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methyl-2-pyridinyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(3-methyl-2-pyridinyl)pyridine-2-carboxylate (CID 170546048) is methyl 5-(3-methyl-2-pyridinyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(3-methyl-2-pyridinyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(3-methyl-2-pyridinyl)pyridine-2-carboxylate is COC(=O)c1ccc(-c2ncccc2C)cn1.
What is the InChIKey of methyl 5-(3-methyl-2-pyridinyl)pyridine-2-carboxylate?
The InChIKey is QZPFCHYIFOOGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-4-3-7-14-12(9)10-5-6-11(15-8-10)13(16)17-2/h3-8H,1-2H3.
What are the key properties of methyl 5-(3-methyl-2-pyridinyl)pyridine-2-carboxylate?
methyl 5-(3-methyl-2-pyridinyl)pyridine-2-carboxylate has a molecular weight of 228.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methyl-2-pyridinyl)pyridine-2-carboxylate is sourced from PubChem (CID 170546048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).