1-(3-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea

C14H12F3N3O — CID 970494

IUPAC1-(3-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1cccnc1NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3N3O/c1-9-4-3-7-18-12(9)20-13(21)19-11-6-2-5-10(8-11)14(15,16)17/h2-8H,1H3,(H2,18,19,20,21)
InChIKeyQQXUYDYKAHLXCR-UHFFFAOYSA-N
MW295.26 g/mol
LogP4.05
Rot. Bonds2

About 1-(3-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(3-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 970494) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID970494
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name1-(3-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1cccnc1NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3N3O/c1-9-4-3-7-18-12(9)20-13(21)19-11-6-2-5-10(8-11)14(15,16)17/h2-8H,1H3,(H2,18,19,20,21)
InChIKeyQQXUYDYKAHLXCR-UHFFFAOYSA-N
XLogP4.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 970494) is 1-(3-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea is Cc1cccnc1NC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is QQXUYDYKAHLXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-9-4-3-7-18-12(9)20-13(21)19-11-6-2-5-10(8-11)14(15,16)17/h2-8H,1H3,(H2,18,19,20,21).
What are the key properties of 1-(3-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(3-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 295.26 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 970494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).