3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(3R)-oxolan-3-yl]urea

C11H14FN3O2 — CID 99597516

IUPAC3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(3R)-oxolan-3-yl]urea
SMILESCN(C(=O)Nc1ccc(F)cn1)[C@@H]1CCOC1
InChIInChI=1S/C11H14FN3O2/c1-15(9-4-5-17-7-9)11(16)14-10-3-2-8(12)6-13-10/h2-3,6,9H,4-5,7H2,1H3,(H,13,14,16)/t9-/m1/s1
InChIKeyJSOCEQBKOADHGU-SECBINFHSA-N
MW239.25 g/mol
LogP1.47
Rot. Bonds2

About 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(3R)-oxolan-3-yl]urea

3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(3R)-oxolan-3-yl]urea (PubChem CID 99597516) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(3R)-oxolan-3-yl]urea.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(3R)-oxolan-3-yl]urea
PubChem CID99597516
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(3R)-oxolan-3-yl]urea
SMILESCN(C(=O)Nc1ccc(F)cn1)[C@@H]1CCOC1
InChIInChI=1S/C11H14FN3O2/c1-15(9-4-5-17-7-9)11(16)14-10-3-2-8(12)6-13-10/h2-3,6,9H,4-5,7H2,1H3,(H,13,14,16)/t9-/m1/s1
InChIKeyJSOCEQBKOADHGU-SECBINFHSA-N
XLogP1.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(3R)-oxolan-3-yl]urea?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(3R)-oxolan-3-yl]urea (CID 99597516) is 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(3R)-oxolan-3-yl]urea.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(3R)-oxolan-3-yl]urea?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(3R)-oxolan-3-yl]urea is CN(C(=O)Nc1ccc(F)cn1)[C@@H]1CCOC1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(3R)-oxolan-3-yl]urea?
The InChIKey is JSOCEQBKOADHGU-SECBINFHSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-15(9-4-5-17-7-9)11(16)14-10-3-2-8(12)6-13-10/h2-3,6,9H,4-5,7H2,1H3,(H,13,14,16)/t9-/m1/s1.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(3R)-oxolan-3-yl]urea?
3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(3R)-oxolan-3-yl]urea has a molecular weight of 239.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(3R)-oxolan-3-yl]urea is sourced from PubChem (CID 99597516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).