1-(5-fluoro-2-pyridinyl)ethylurea

C8H10FN3O — CID 140688353

IUPAC1-(5-fluoro-2-pyridinyl)ethylurea
SMILESCC(NC(N)=O)c1ccc(F)cn1
InChIInChI=1S/C8H10FN3O/c1-5(12-8(10)13)7-3-2-6(9)4-11-7/h2-5H,1H3,(H3,10,12,13)
InChIKeySCSVBJWIYNBERU-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.95
Rot. Bonds2

About 1-(5-fluoro-2-pyridinyl)ethylurea

1-(5-fluoro-2-pyridinyl)ethylurea (PubChem CID 140688353) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)ethylurea.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)ethylurea
PubChem CID140688353
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name1-(5-fluoro-2-pyridinyl)ethylurea
SMILESCC(NC(N)=O)c1ccc(F)cn1
InChIInChI=1S/C8H10FN3O/c1-5(12-8(10)13)7-3-2-6(9)4-11-7/h2-5H,1H3,(H3,10,12,13)
InChIKeySCSVBJWIYNBERU-UHFFFAOYSA-N
XLogP0.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)ethylurea?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)ethylurea (CID 140688353) is 1-(5-fluoro-2-pyridinyl)ethylurea.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)ethylurea?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)ethylurea is CC(NC(N)=O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)ethylurea?
The InChIKey is SCSVBJWIYNBERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c1-5(12-8(10)13)7-3-2-6(9)4-11-7/h2-5H,1H3,(H3,10,12,13).
What are the key properties of 1-(5-fluoro-2-pyridinyl)ethylurea?
1-(5-fluoro-2-pyridinyl)ethylurea has a molecular weight of 183.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)ethylurea is sourced from PubChem (CID 140688353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).