methyl 2-(ethylamino)-5-fluoro-6-methoxypyridine-3-carboxylate

C10H13FN2O3 — CID 14050996

IUPACmethyl 2-(ethylamino)-5-fluoro-6-methoxypyridine-3-carboxylate
SMILESCCNc1nc(OC)c(F)cc1C(=O)OC
InChIInChI=1S/C10H13FN2O3/c1-4-12-8-6(10(14)16-3)5-7(11)9(13-8)15-2/h5H,4H2,1-3H3,(H,12,13)
InChIKeyDONWMHPXQQFDLQ-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.45
Rot. Bonds4

About methyl 2-(ethylamino)-5-fluoro-6-methoxypyridine-3-carboxylate

methyl 2-(ethylamino)-5-fluoro-6-methoxypyridine-3-carboxylate (PubChem CID 14050996) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is methyl 2-(ethylamino)-5-fluoro-6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-5-fluoro-6-methoxypyridine-3-carboxylate
PubChem CID14050996
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Namemethyl 2-(ethylamino)-5-fluoro-6-methoxypyridine-3-carboxylate
SMILESCCNc1nc(OC)c(F)cc1C(=O)OC
InChIInChI=1S/C10H13FN2O3/c1-4-12-8-6(10(14)16-3)5-7(11)9(13-8)15-2/h5H,4H2,1-3H3,(H,12,13)
InChIKeyDONWMHPXQQFDLQ-UHFFFAOYSA-N
XLogP1.45
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-5-fluoro-6-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 2-(ethylamino)-5-fluoro-6-methoxypyridine-3-carboxylate (CID 14050996) is methyl 2-(ethylamino)-5-fluoro-6-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(ethylamino)-5-fluoro-6-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 2-(ethylamino)-5-fluoro-6-methoxypyridine-3-carboxylate is CCNc1nc(OC)c(F)cc1C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-5-fluoro-6-methoxypyridine-3-carboxylate?
The InChIKey is DONWMHPXQQFDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-4-12-8-6(10(14)16-3)5-7(11)9(13-8)15-2/h5H,4H2,1-3H3,(H,12,13).
What are the key properties of methyl 2-(ethylamino)-5-fluoro-6-methoxypyridine-3-carboxylate?
methyl 2-(ethylamino)-5-fluoro-6-methoxypyridine-3-carboxylate has a molecular weight of 228.22 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-5-fluoro-6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 14050996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).