methyl 2-ethoxy-5-fluoropyridine-4-carboxylate

C9H10FNO3 — CID 118989859

IUPACmethyl 2-ethoxy-5-fluoropyridine-4-carboxylate
SMILESCCOc1cc(C(=O)OC)c(F)cn1
InChIInChI=1S/C9H10FNO3/c1-3-14-8-4-6(9(12)13-2)7(10)5-11-8/h4-5H,3H2,1-2H3
InChIKeyGUDWMXYLGBAAFH-UHFFFAOYSA-N
MW199.18 g/mol
LogP1.41
Rot. Bonds3

About methyl 2-ethoxy-5-fluoropyridine-4-carboxylate

methyl 2-ethoxy-5-fluoropyridine-4-carboxylate (PubChem CID 118989859) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is methyl 2-ethoxy-5-fluoropyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethoxy-5-fluoropyridine-4-carboxylate
PubChem CID118989859
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Namemethyl 2-ethoxy-5-fluoropyridine-4-carboxylate
SMILESCCOc1cc(C(=O)OC)c(F)cn1
InChIInChI=1S/C9H10FNO3/c1-3-14-8-4-6(9(12)13-2)7(10)5-11-8/h4-5H,3H2,1-2H3
InChIKeyGUDWMXYLGBAAFH-UHFFFAOYSA-N
XLogP1.41
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(2-ethoxy-5-fluoro-4-pyridinyl)-3-methylpyrazine-2-carboxylate
CID 142593622
methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 170909839
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethoxy-5-fluoropyridine-4-carboxamide
CID 171697988
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133090464
methyl 2,5-difluoro-4-octoxybenzoate
CID 59683709
ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate
CID 143512804
methyl 5-ethoxy-2-fluoro-3-methylbenzoate
CID 164891519
methyl 6-amino-4-ethoxypyridine-3-carboxylate
CID 155437022
methyl 2-ethoxy-3-fluoro-5-fluorosulfonylbenzoate
CID 165460206
methyl 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoate
CID 172564337
methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate
CID 118130839
methyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate
CID 133090729

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-5-fluoropyridine-4-carboxylate?
The IUPAC name of methyl 2-ethoxy-5-fluoropyridine-4-carboxylate (CID 118989859) is methyl 2-ethoxy-5-fluoropyridine-4-carboxylate.
What is the SMILES notation for methyl 2-ethoxy-5-fluoropyridine-4-carboxylate?
The canonical SMILES for methyl 2-ethoxy-5-fluoropyridine-4-carboxylate is CCOc1cc(C(=O)OC)c(F)cn1.
What is the InChIKey of methyl 2-ethoxy-5-fluoropyridine-4-carboxylate?
The InChIKey is GUDWMXYLGBAAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-3-14-8-4-6(9(12)13-2)7(10)5-11-8/h4-5H,3H2,1-2H3.
What are the key properties of methyl 2-ethoxy-5-fluoropyridine-4-carboxylate?
methyl 2-ethoxy-5-fluoropyridine-4-carboxylate has a molecular weight of 199.18 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-5-fluoropyridine-4-carboxylate is sourced from PubChem (CID 118989859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).