1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]urea

C15H15F2N3O2 — CID 21061442

IUPAC1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]urea
SMILESCc1nc(N(C(N)=O)c2c(F)cccc2F)ccc1CCO
InChIInChI=1S/C15H15F2N3O2/c1-9-10(7-8-21)5-6-13(19-9)20(15(18)22)14-11(16)3-2-4-12(14)17/h2-6,21H,7-8H2,1H3,(H2,18,22)
InChIKeyNRTRGQLJLBLKCR-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.42
Rot. Bonds4

About 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]urea

1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]urea (PubChem CID 21061442) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]urea
PubChem CID21061442
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]urea
SMILESCc1nc(N(C(N)=O)c2c(F)cccc2F)ccc1CCO
InChIInChI=1S/C15H15F2N3O2/c1-9-10(7-8-21)5-6-13(19-9)20(15(18)22)14-11(16)3-2-4-12(14)17/h2-6,21H,7-8H2,1H3,(H2,18,22)
InChIKeyNRTRGQLJLBLKCR-UHFFFAOYSA-N
XLogP2.42
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]urea (CID 21061442) is 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]urea is Cc1nc(N(C(N)=O)c2c(F)cccc2F)ccc1CCO.
What is the InChIKey of 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]urea?
The InChIKey is NRTRGQLJLBLKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c1-9-10(7-8-21)5-6-13(19-9)20(15(18)22)14-11(16)3-2-4-12(14)17/h2-6,21H,7-8H2,1H3,(H2,18,22).
What are the key properties of 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]urea?
1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]urea has a molecular weight of 307.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-1-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]urea is sourced from PubChem (CID 21061442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).