1-[4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea

C13H11F2N3O2 — CID 155533510

IUPAC1-[4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2c(F)cccc2F)ccn1
InChIInChI=1S/C13H11F2N3O2/c1-16-13(19)18-11-7-8(5-6-17-11)20-12-9(14)3-2-4-10(12)15/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyQUSPGQBMMOFJNY-UHFFFAOYSA-N
MW279.25 g/mol
LogP2.90
Rot. Bonds3

About 1-[4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea

1-[4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea (PubChem CID 155533510) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is 1-[4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea
PubChem CID155533510
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC Name1-[4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2c(F)cccc2F)ccn1
InChIInChI=1S/C13H11F2N3O2/c1-16-13(19)18-11-7-8(5-6-17-11)20-12-9(14)3-2-4-10(12)15/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyQUSPGQBMMOFJNY-UHFFFAOYSA-N
XLogP2.90
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea (CID 155533510) is 1-[4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea is CNC(=O)Nc1cc(Oc2c(F)cccc2F)ccn1.
What is the InChIKey of 1-[4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea?
The InChIKey is QUSPGQBMMOFJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c1-16-13(19)18-11-7-8(5-6-17-11)20-12-9(14)3-2-4-10(12)15/h2-7H,1H3,(H2,16,17,18,19).
What are the key properties of 1-[4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea?
1-[4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea has a molecular weight of 279.25 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 155533510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).