[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]methyl carbamate

C11H13FN2O3 — CID 175430029

IUPAC[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]methyl carbamate
SMILESC=C(OCC)c1ccnc(COC(N)=O)c1F
InChIInChI=1S/C11H13FN2O3/c1-3-16-7(2)8-4-5-14-9(10(8)12)6-17-11(13)15/h4-5H,2-3,6H2,1H3,(H2,13,15)
InChIKeyYSGLBVAVKXFKHL-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.82
Rot. Bonds5

About [4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]methyl carbamate

[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]methyl carbamate (PubChem CID 175430029) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is [4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]methyl carbamate.

Molecular Properties

Compound Name[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]methyl carbamate
PubChem CID175430029
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]methyl carbamate
SMILESC=C(OCC)c1ccnc(COC(N)=O)c1F
InChIInChI=1S/C11H13FN2O3/c1-3-16-7(2)8-4-5-14-9(10(8)12)6-17-11(13)15/h4-5H,2-3,6H2,1H3,(H2,13,15)
InChIKeyYSGLBVAVKXFKHL-UHFFFAOYSA-N
XLogP1.82
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]methyl carbamate?
The IUPAC name of [4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]methyl carbamate (CID 175430029) is [4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]methyl carbamate.
What is the SMILES notation for [4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]methyl carbamate?
The canonical SMILES for [4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]methyl carbamate is C=C(OCC)c1ccnc(COC(N)=O)c1F.
What is the InChIKey of [4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]methyl carbamate?
The InChIKey is YSGLBVAVKXFKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-3-16-7(2)8-4-5-14-9(10(8)12)6-17-11(13)15/h4-5H,2-3,6H2,1H3,(H2,13,15).
What are the key properties of [4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]methyl carbamate?
[4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]methyl carbamate has a molecular weight of 240.23 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethoxyethenyl)-3-fluoro-2-pyridinyl]methyl carbamate is sourced from PubChem (CID 175430029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).