methyl 4-(6-ethylpyrazin-2-yl)-2-fluorobenzoate

C14H13FN2O2 — CID 147521974

IUPACmethyl 4-(6-ethylpyrazin-2-yl)-2-fluorobenzoate
SMILESCCc1cncc(-c2ccc(C(=O)OC)c(F)c2)n1
InChIInChI=1S/C14H13FN2O2/c1-3-10-7-16-8-13(17-10)9-4-5-11(12(15)6-9)14(18)19-2/h4-8H,3H2,1-2H3
InChIKeyFLIQIFDQVVWTTJ-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.63
Rot. Bonds3

About methyl 4-(6-ethylpyrazin-2-yl)-2-fluorobenzoate

methyl 4-(6-ethylpyrazin-2-yl)-2-fluorobenzoate (PubChem CID 147521974) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is methyl 4-(6-ethylpyrazin-2-yl)-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 4-(6-ethylpyrazin-2-yl)-2-fluorobenzoate
PubChem CID147521974
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Namemethyl 4-(6-ethylpyrazin-2-yl)-2-fluorobenzoate
SMILESCCc1cncc(-c2ccc(C(=O)OC)c(F)c2)n1
InChIInChI=1S/C14H13FN2O2/c1-3-10-7-16-8-13(17-10)9-4-5-11(12(15)6-9)14(18)19-2/h4-8H,3H2,1-2H3
InChIKeyFLIQIFDQVVWTTJ-UHFFFAOYSA-N
XLogP2.63
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-(6-ethylpyrazin-2-yl)-2-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-fluoro-4-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53224143
methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate
CID 70699864
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
methyl 2-fluoro-4-(1H-pyrazol-5-yl)benzoate
CID 165486349
methyl 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoate
CID 172532469
methyl 2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
CID 172533149
methyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate
CID 122590621
2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid
CID 139519387
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
CID 75488422
methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate
CID 53218667
methyl 4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-2-fluorobenzoate
CID 118046000

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-ethylpyrazin-2-yl)-2-fluorobenzoate?
The IUPAC name of methyl 4-(6-ethylpyrazin-2-yl)-2-fluorobenzoate (CID 147521974) is methyl 4-(6-ethylpyrazin-2-yl)-2-fluorobenzoate.
What is the SMILES notation for methyl 4-(6-ethylpyrazin-2-yl)-2-fluorobenzoate?
The canonical SMILES for methyl 4-(6-ethylpyrazin-2-yl)-2-fluorobenzoate is CCc1cncc(-c2ccc(C(=O)OC)c(F)c2)n1.
What is the InChIKey of methyl 4-(6-ethylpyrazin-2-yl)-2-fluorobenzoate?
The InChIKey is FLIQIFDQVVWTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-3-10-7-16-8-13(17-10)9-4-5-11(12(15)6-9)14(18)19-2/h4-8H,3H2,1-2H3.
What are the key properties of methyl 4-(6-ethylpyrazin-2-yl)-2-fluorobenzoate?
methyl 4-(6-ethylpyrazin-2-yl)-2-fluorobenzoate has a molecular weight of 260.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-ethylpyrazin-2-yl)-2-fluorobenzoate is sourced from PubChem (CID 147521974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).