methyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate

C11H11N3O2 — CID 118173164

IUPACmethyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cn[nH]c2C)n1
InChIInChI=1S/C11H11N3O2/c1-7-8(6-12-14-7)9-4-3-5-10(13-9)11(15)16-2/h3-6H,1-2H3,(H,12,14)
InChIKeyDKHMVNSKHXGOAF-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.57
Rot. Bonds2

About methyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate

methyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate (PubChem CID 118173164) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is methyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate
PubChem CID118173164
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Namemethyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cn[nH]c2C)n1
InChIInChI=1S/C11H11N3O2/c1-7-8(6-12-14-7)9-4-3-5-10(13-9)11(15)16-2/h3-6H,1-2H3,(H,12,14)
InChIKeyDKHMVNSKHXGOAF-UHFFFAOYSA-N
XLogP1.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate (CID 118173164) is methyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate is COC(=O)c1cccc(-c2cn[nH]c2C)n1.
What is the InChIKey of methyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate?
The InChIKey is DKHMVNSKHXGOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-8(6-12-14-7)9-4-3-5-10(13-9)11(15)16-2/h3-6H,1-2H3,(H,12,14).
What are the key properties of methyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate?
methyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate has a molecular weight of 217.23 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylate is sourced from PubChem (CID 118173164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).