1-(2,6-difluorophenyl)-1-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]urea

C14H10F5N3O — CID 19813663

IUPAC1-(2,6-difluorophenyl)-1-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]urea
SMILESCc1cc(N(C(N)=O)c2c(F)cccc2F)nc(C(F)(F)F)c1
InChIInChI=1S/C14H10F5N3O/c1-7-5-10(14(17,18)19)21-11(6-7)22(13(20)23)12-8(15)3-2-4-9(12)16/h2-6H,1H3,(H2,20,23)
InChIKeyFFQRWJGTIGJXNG-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.90
Rot. Bonds2

About 1-(2,6-difluorophenyl)-1-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]urea

1-(2,6-difluorophenyl)-1-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]urea (PubChem CID 19813663) has the molecular formula C14H10F5N3O and a molecular weight of 331.24 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-1-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-1-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]urea
PubChem CID19813663
Molecular FormulaC14H10F5N3O
Molecular Weight331.24 g/mol
Exact Mass331.07
IUPAC Name1-(2,6-difluorophenyl)-1-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]urea
SMILESCc1cc(N(C(N)=O)c2c(F)cccc2F)nc(C(F)(F)F)c1
InChIInChI=1S/C14H10F5N3O/c1-7-5-10(14(17,18)19)21-11(6-7)22(13(20)23)12-8(15)3-2-4-9(12)16/h2-6H,1H3,(H2,20,23)
InChIKeyFFQRWJGTIGJXNG-UHFFFAOYSA-N
XLogP3.90
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-1-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-1-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]urea (CID 19813663) is 1-(2,6-difluorophenyl)-1-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-1-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-1-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]urea is Cc1cc(N(C(N)=O)c2c(F)cccc2F)nc(C(F)(F)F)c1.
What is the InChIKey of 1-(2,6-difluorophenyl)-1-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]urea?
The InChIKey is FFQRWJGTIGJXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N3O/c1-7-5-10(14(17,18)19)21-11(6-7)22(13(20)23)12-8(15)3-2-4-9(12)16/h2-6H,1H3,(H2,20,23).
What are the key properties of 1-(2,6-difluorophenyl)-1-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]urea?
1-(2,6-difluorophenyl)-1-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]urea has a molecular weight of 331.24 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-1-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]urea is sourced from PubChem (CID 19813663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).