1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea

C9H12FN3O — CID 103886199

IUPAC1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea
SMILESCCN(C)C(=O)Nc1ccncc1F
InChIInChI=1S/C9H12FN3O/c1-3-13(2)9(14)12-8-4-5-11-6-7(8)10/h4-6H,3H2,1-2H3,(H,11,12,14)
InChIKeyHRUZLZVSTLPYOO-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.70
Rot. Bonds2

About 1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea

1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea (PubChem CID 103886199) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea.

Molecular Properties

Compound Name1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea
PubChem CID103886199
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea
SMILESCCN(C)C(=O)Nc1ccncc1F
InChIInChI=1S/C9H12FN3O/c1-3-13(2)9(14)12-8-4-5-11-6-7(8)10/h4-6H,3H2,1-2H3,(H,11,12,14)
InChIKeyHRUZLZVSTLPYOO-UHFFFAOYSA-N
XLogP1.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea?
The IUPAC name of 1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea (CID 103886199) is 1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea.
What is the SMILES notation for 1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea?
The canonical SMILES for 1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea is CCN(C)C(=O)Nc1ccncc1F.
What is the InChIKey of 1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea?
The InChIKey is HRUZLZVSTLPYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-3-13(2)9(14)12-8-4-5-11-6-7(8)10/h4-6H,3H2,1-2H3,(H,11,12,14).
What are the key properties of 1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea?
1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea has a molecular weight of 197.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea is sourced from PubChem (CID 103886199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).