methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate

C15H14FNO3 — CID 167450972

IUPACmethyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate
SMILESCCOc1ccc(-c2cc(F)cc(C(=O)OC)n2)cc1
InChIInChI=1S/C15H14FNO3/c1-3-20-12-6-4-10(5-7-12)13-8-11(16)9-14(17-13)15(18)19-2/h4-9H,3H2,1-2H3
InChIKeyLVHKVCJVVJXFPJ-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.07
Rot. Bonds4

About methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate

methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate (PubChem CID 167450972) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate
PubChem CID167450972
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Namemethyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate
SMILESCCOc1ccc(-c2cc(F)cc(C(=O)OC)n2)cc1
InChIInChI=1S/C15H14FNO3/c1-3-20-12-6-4-10(5-7-12)13-8-11(16)9-14(17-13)15(18)19-2/h4-9H,3H2,1-2H3
InChIKeyLVHKVCJVVJXFPJ-UHFFFAOYSA-N
XLogP3.07
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide
CID 174239572
dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513
methyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide
CID 20537542
methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62269593
4-ethoxy-6-methoxycarbonylpyridine-2-carboxylic acid
CID 23292064
methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
CID 66666760
2-(4-ethoxyphenyl)-4-fluoropyridine
CID 102824424
methyl 2-[2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]-6-fluoroquinoline-4-carboxylate
CID 170148921
methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 154854437
N-[(4-ethoxyphenyl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 71825312
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate (CID 167450972) is methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate is CCOc1ccc(-c2cc(F)cc(C(=O)OC)n2)cc1.
What is the InChIKey of methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate?
The InChIKey is LVHKVCJVVJXFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-3-20-12-6-4-10(5-7-12)13-8-11(16)9-14(17-13)15(18)19-2/h4-9H,3H2,1-2H3.
What are the key properties of methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate?
methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate has a molecular weight of 275.28 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate is sourced from PubChem (CID 167450972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).