methyl 3-pyridin-4-ylpyrazine-2-carboxylate

C11H9N3O2 — CID 163385858

IUPACmethyl 3-pyridin-4-ylpyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1-c1ccncc1
InChIInChI=1S/C11H9N3O2/c1-16-11(15)10-9(13-6-7-14-10)8-2-4-12-5-3-8/h2-7H,1H3
InChIKeyJTWQDHGVQOJMLD-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.33
Rot. Bonds2

About methyl 3-pyridin-4-ylpyrazine-2-carboxylate

methyl 3-pyridin-4-ylpyrazine-2-carboxylate (PubChem CID 163385858) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is methyl 3-pyridin-4-ylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-pyridin-4-ylpyrazine-2-carboxylate
PubChem CID163385858
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Namemethyl 3-pyridin-4-ylpyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1-c1ccncc1
InChIInChI=1S/C11H9N3O2/c1-16-11(15)10-9(13-6-7-14-10)8-2-4-12-5-3-8/h2-7H,1H3
InChIKeyJTWQDHGVQOJMLD-UHFFFAOYSA-N
XLogP1.33
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-chloro-2-pyridin-4-ylpyridine-4-carboxylate
CID 46317559
methyl 4-pyridin-4-ylpyridine-2-carboxylate
CID 46317488
methyl 6-pyridin-4-ylpyridine-2-carboxylate
CID 46317482
methyl 5-pyridin-4-ylthiadiazole-4-carboxylate
CID 154673837
methyl 6-methoxy-3-pyridin-4-ylpyridine-2-carboxylate
CID 46317644
methyl 3-pyridin-4-ylbenzoate
CID 5152687
methyl 3-(5-amino-2-chlorophenyl)pyrazine-2-carboxylate
CID 91452201
methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate
CID 167450839
methyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate
CID 141103984
methyl 3-pyridin-4-yl-6-(trifluoromethyl)pyridine-2-carboxylate
CID 46317652
methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate
CID 59152590
3-phenylpyrazine-2-carboxylate
CID 35549380

Frequently Asked Questions

What is the IUPAC name of methyl 3-pyridin-4-ylpyrazine-2-carboxylate?
The IUPAC name of methyl 3-pyridin-4-ylpyrazine-2-carboxylate (CID 163385858) is methyl 3-pyridin-4-ylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-pyridin-4-ylpyrazine-2-carboxylate?
The canonical SMILES for methyl 3-pyridin-4-ylpyrazine-2-carboxylate is COC(=O)c1nccnc1-c1ccncc1.
What is the InChIKey of methyl 3-pyridin-4-ylpyrazine-2-carboxylate?
The InChIKey is JTWQDHGVQOJMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-16-11(15)10-9(13-6-7-14-10)8-2-4-12-5-3-8/h2-7H,1H3.
What are the key properties of methyl 3-pyridin-4-ylpyrazine-2-carboxylate?
methyl 3-pyridin-4-ylpyrazine-2-carboxylate has a molecular weight of 215.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyridin-4-ylpyrazine-2-carboxylate is sourced from PubChem (CID 163385858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).