(6-ethoxy-2-pyridinyl)methyl 5-fluoropyridine-2-carboxylate

C14H13FN2O3 — CID 84600222

IUPAC(6-ethoxy-2-pyridinyl)methyl 5-fluoropyridine-2-carboxylate
SMILESCCOc1cccc(COC(=O)c2ccc(F)cn2)n1
InChIInChI=1S/C14H13FN2O3/c1-2-19-13-5-3-4-11(17-13)9-20-14(18)12-7-6-10(15)8-16-12/h3-8H,2,9H2,1H3
InChIKeyQNIDRZOYXQDZSQ-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.37
Rot. Bonds5

About (6-ethoxy-2-pyridinyl)methyl 5-fluoropyridine-2-carboxylate

(6-ethoxy-2-pyridinyl)methyl 5-fluoropyridine-2-carboxylate (PubChem CID 84600222) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is (6-ethoxy-2-pyridinyl)methyl 5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Name(6-ethoxy-2-pyridinyl)methyl 5-fluoropyridine-2-carboxylate
PubChem CID84600222
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name(6-ethoxy-2-pyridinyl)methyl 5-fluoropyridine-2-carboxylate
SMILESCCOc1cccc(COC(=O)c2ccc(F)cn2)n1
InChIInChI=1S/C14H13FN2O3/c1-2-19-13-5-3-4-11(17-13)9-20-14(18)12-7-6-10(15)8-16-12/h3-8H,2,9H2,1H3
InChIKeyQNIDRZOYXQDZSQ-UHFFFAOYSA-N
XLogP2.37
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-2-pyridinyl)methyl 5-fluoropyridine-2-carboxylate?
The IUPAC name of (6-ethoxy-2-pyridinyl)methyl 5-fluoropyridine-2-carboxylate (CID 84600222) is (6-ethoxy-2-pyridinyl)methyl 5-fluoropyridine-2-carboxylate.
What is the SMILES notation for (6-ethoxy-2-pyridinyl)methyl 5-fluoropyridine-2-carboxylate?
The canonical SMILES for (6-ethoxy-2-pyridinyl)methyl 5-fluoropyridine-2-carboxylate is CCOc1cccc(COC(=O)c2ccc(F)cn2)n1.
What is the InChIKey of (6-ethoxy-2-pyridinyl)methyl 5-fluoropyridine-2-carboxylate?
The InChIKey is QNIDRZOYXQDZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-2-19-13-5-3-4-11(17-13)9-20-14(18)12-7-6-10(15)8-16-12/h3-8H,2,9H2,1H3.
What are the key properties of (6-ethoxy-2-pyridinyl)methyl 5-fluoropyridine-2-carboxylate?
(6-ethoxy-2-pyridinyl)methyl 5-fluoropyridine-2-carboxylate has a molecular weight of 276.27 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-2-pyridinyl)methyl 5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 84600222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).