1-(2,4-difluorophenyl)-3-(pyridin-2-ylmethyl)urea

C13H11F2N3O — CID 970987

IUPAC1-(2,4-difluorophenyl)-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H11F2N3O/c14-9-4-5-12(11(15)7-9)18-13(19)17-8-10-3-1-2-6-16-10/h1-7H,8H2,(H2,17,18,19)
InChIKeyOIAHFNOLSNJKQG-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.68
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-(pyridin-2-ylmethyl)urea

1-(2,4-difluorophenyl)-3-(pyridin-2-ylmethyl)urea (PubChem CID 970987) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(pyridin-2-ylmethyl)urea
PubChem CID970987
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name1-(2,4-difluorophenyl)-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H11F2N3O/c14-9-4-5-12(11(15)7-9)18-13(19)17-8-10-3-1-2-6-16-10/h1-7H,8H2,(H2,17,18,19)
InChIKeyOIAHFNOLSNJKQG-UHFFFAOYSA-N
XLogP2.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(pyridin-2-ylmethyl)urea (CID 970987) is 1-(2,4-difluorophenyl)-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(pyridin-2-ylmethyl)urea is O=C(NCc1ccccn1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(pyridin-2-ylmethyl)urea?
The InChIKey is OIAHFNOLSNJKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-9-4-5-12(11(15)7-9)18-13(19)17-8-10-3-1-2-6-16-10/h1-7H,8H2,(H2,17,18,19).
What are the key properties of 1-(2,4-difluorophenyl)-3-(pyridin-2-ylmethyl)urea?
1-(2,4-difluorophenyl)-3-(pyridin-2-ylmethyl)urea has a molecular weight of 263.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 970987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).