1-(5-fluoro-2-pyridinyl)ethyl carbamate

C8H9FN2O2 — CID 68954480

IUPAC1-(5-fluoro-2-pyridinyl)ethyl carbamate
SMILESCC(OC(N)=O)c1ccc(F)cn1
InChIInChI=1S/C8H9FN2O2/c1-5(13-8(10)12)7-3-2-6(9)4-11-7/h2-5H,1H3,(H2,10,12)
InChIKeyVKDHQIJYBLJBPD-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.38
Rot. Bonds2

About 1-(5-fluoro-2-pyridinyl)ethyl carbamate

1-(5-fluoro-2-pyridinyl)ethyl carbamate (PubChem CID 68954480) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)ethyl carbamate.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)ethyl carbamate
PubChem CID68954480
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name1-(5-fluoro-2-pyridinyl)ethyl carbamate
SMILESCC(OC(N)=O)c1ccc(F)cn1
InChIInChI=1S/C8H9FN2O2/c1-5(13-8(10)12)7-3-2-6(9)4-11-7/h2-5H,1H3,(H2,10,12)
InChIKeyVKDHQIJYBLJBPD-UHFFFAOYSA-N
XLogP1.38
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)ethyl carbamate?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)ethyl carbamate (CID 68954480) is 1-(5-fluoro-2-pyridinyl)ethyl carbamate.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)ethyl carbamate?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)ethyl carbamate is CC(OC(N)=O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)ethyl carbamate?
The InChIKey is VKDHQIJYBLJBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-5(13-8(10)12)7-3-2-6(9)4-11-7/h2-5H,1H3,(H2,10,12).
What are the key properties of 1-(5-fluoro-2-pyridinyl)ethyl carbamate?
1-(5-fluoro-2-pyridinyl)ethyl carbamate has a molecular weight of 184.17 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)ethyl carbamate is sourced from PubChem (CID 68954480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).