methyl 5-(2-ethoxy-5-fluoro-4-pyridinyl)-3-methylpyrazine-2-carboxylate

C14H14FN3O3 — CID 142593622

IUPACmethyl 5-(2-ethoxy-5-fluoro-4-pyridinyl)-3-methylpyrazine-2-carboxylate
SMILESCCOc1cc(-c2cnc(C(=O)OC)c(C)n2)c(F)cn1
InChIInChI=1S/C14H14FN3O3/c1-4-21-12-5-9(10(15)6-16-12)11-7-17-13(8(2)18-11)14(19)20-3/h5-7H,4H2,1-3H3
InChIKeyHDPZTKVBUKSAKL-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.17
Rot. Bonds4

About methyl 5-(2-ethoxy-5-fluoro-4-pyridinyl)-3-methylpyrazine-2-carboxylate

methyl 5-(2-ethoxy-5-fluoro-4-pyridinyl)-3-methylpyrazine-2-carboxylate (PubChem CID 142593622) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is methyl 5-(2-ethoxy-5-fluoro-4-pyridinyl)-3-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-ethoxy-5-fluoro-4-pyridinyl)-3-methylpyrazine-2-carboxylate
PubChem CID142593622
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Namemethyl 5-(2-ethoxy-5-fluoro-4-pyridinyl)-3-methylpyrazine-2-carboxylate
SMILESCCOc1cc(-c2cnc(C(=O)OC)c(C)n2)c(F)cn1
InChIInChI=1S/C14H14FN3O3/c1-4-21-12-5-9(10(15)6-16-12)11-7-17-13(8(2)18-11)14(19)20-3/h5-7H,4H2,1-3H3
InChIKeyHDPZTKVBUKSAKL-UHFFFAOYSA-N
XLogP2.17
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-ethoxy-5-fluoropyridine-4-carboxylate
CID 118989859
methyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate
CID 86728150
methyl 5-(difluoromethoxy)-3-methylpyrazine-2-carboxylate
CID 118435622
methyl 3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carboxylate
CID 163295198
methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate
CID 155342094
methyl 4-bromo-3,5-difluoropyridine-2-carboxylate
CID 141301095
2-ethoxy-5-(2,3,4-trifluorophenyl)pyridine-4-carbaldehyde
CID 87411775
methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate
CID 117275720
[5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazin-2-yl]methanol
CID 125488061
diethyl 2-[(5-fluoro-2-methoxycarbonyl-3-pyridinyl)methyl]propanedioate
CID 175554752
methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 130096508
methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115424867

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-ethoxy-5-fluoro-4-pyridinyl)-3-methylpyrazine-2-carboxylate?
The IUPAC name of methyl 5-(2-ethoxy-5-fluoro-4-pyridinyl)-3-methylpyrazine-2-carboxylate (CID 142593622) is methyl 5-(2-ethoxy-5-fluoro-4-pyridinyl)-3-methylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(2-ethoxy-5-fluoro-4-pyridinyl)-3-methylpyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(2-ethoxy-5-fluoro-4-pyridinyl)-3-methylpyrazine-2-carboxylate is CCOc1cc(-c2cnc(C(=O)OC)c(C)n2)c(F)cn1.
What is the InChIKey of methyl 5-(2-ethoxy-5-fluoro-4-pyridinyl)-3-methylpyrazine-2-carboxylate?
The InChIKey is HDPZTKVBUKSAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-4-21-12-5-9(10(15)6-16-12)11-7-17-13(8(2)18-11)14(19)20-3/h5-7H,4H2,1-3H3.
What are the key properties of methyl 5-(2-ethoxy-5-fluoro-4-pyridinyl)-3-methylpyrazine-2-carboxylate?
methyl 5-(2-ethoxy-5-fluoro-4-pyridinyl)-3-methylpyrazine-2-carboxylate has a molecular weight of 291.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-ethoxy-5-fluoro-4-pyridinyl)-3-methylpyrazine-2-carboxylate is sourced from PubChem (CID 142593622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).