(6-methyl-2-pyridinyl) 6-methylpyridine-2-carboxylate

C13H12N2O2 — CID 142640131

IUPAC(6-methyl-2-pyridinyl) 6-methylpyridine-2-carboxylate
SMILESCc1cccc(OC(=O)c2cccc(C)n2)n1
InChIInChI=1S/C13H12N2O2/c1-9-5-3-7-11(14-9)13(16)17-12-8-4-6-10(2)15-12/h3-8H,1-2H3
InChIKeyRIVRHULCKXCZPL-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.31
Rot. Bonds2

About (6-methyl-2-pyridinyl) 6-methylpyridine-2-carboxylate

(6-methyl-2-pyridinyl) 6-methylpyridine-2-carboxylate (PubChem CID 142640131) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl) 6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl) 6-methylpyridine-2-carboxylate
PubChem CID142640131
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(6-methyl-2-pyridinyl) 6-methylpyridine-2-carboxylate
SMILESCc1cccc(OC(=O)c2cccc(C)n2)n1
InChIInChI=1S/C13H12N2O2/c1-9-5-3-7-11(14-9)13(16)17-12-8-4-6-10(2)15-12/h3-8H,1-2H3
InChIKeyRIVRHULCKXCZPL-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl) 6-methylpyridine-2-carboxylate?
The IUPAC name of (6-methyl-2-pyridinyl) 6-methylpyridine-2-carboxylate (CID 142640131) is (6-methyl-2-pyridinyl) 6-methylpyridine-2-carboxylate.
What is the SMILES notation for (6-methyl-2-pyridinyl) 6-methylpyridine-2-carboxylate?
The canonical SMILES for (6-methyl-2-pyridinyl) 6-methylpyridine-2-carboxylate is Cc1cccc(OC(=O)c2cccc(C)n2)n1.
What is the InChIKey of (6-methyl-2-pyridinyl) 6-methylpyridine-2-carboxylate?
The InChIKey is RIVRHULCKXCZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-5-3-7-11(14-9)13(16)17-12-8-4-6-10(2)15-12/h3-8H,1-2H3.
What are the key properties of (6-methyl-2-pyridinyl) 6-methylpyridine-2-carboxylate?
(6-methyl-2-pyridinyl) 6-methylpyridine-2-carboxylate has a molecular weight of 228.25 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl) 6-methylpyridine-2-carboxylate is sourced from PubChem (CID 142640131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).