1-[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]-3-(2-hydroxyethyl)urea

C9H9BrF3N3O3 — CID 167988054

IUPAC1-[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1ccc(Br)c(OC(F)(F)F)n1
InChIInChI=1S/C9H9BrF3N3O3/c10-5-1-2-6(16-8(18)14-3-4-17)15-7(5)19-9(11,12)13/h1-2,17H,3-4H2,(H2,14,15,16,18)
InChIKeyTVQZVAZMNABOIQ-UHFFFAOYSA-N
MW344.09 g/mol
LogP1.86
Rot. Bonds4

About 1-[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]-3-(2-hydroxyethyl)urea

1-[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]-3-(2-hydroxyethyl)urea (PubChem CID 167988054) has the molecular formula C9H9BrF3N3O3 and a molecular weight of 344.09 g/mol. Its IUPAC name is 1-[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]-3-(2-hydroxyethyl)urea
PubChem CID167988054
Molecular FormulaC9H9BrF3N3O3
Molecular Weight344.09 g/mol
Exact Mass342.98
IUPAC Name1-[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1ccc(Br)c(OC(F)(F)F)n1
InChIInChI=1S/C9H9BrF3N3O3/c10-5-1-2-6(16-8(18)14-3-4-17)15-7(5)19-9(11,12)13/h1-2,17H,3-4H2,(H2,14,15,16,18)
InChIKeyTVQZVAZMNABOIQ-UHFFFAOYSA-N
XLogP1.86
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.09
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea
CID 66817245
3-[[3-bromo-4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 107336642
1-[3-bromo-4-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea
CID 100675837
[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130089416
3-[[4-bromo-2-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 103193516
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-(2-hydroxyethyl)acetamide
CID 102714921
1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
CID 99623557
4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]butanoic acid
CID 61185657
1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 47237417
3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122089989
methyl 6-bromo-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 171028986
1-(2-bromo-3-methylphenyl)-3-(2-hydroxyethyl)urea
CID 75509502

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]-3-(2-hydroxyethyl)urea (CID 167988054) is 1-[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]-3-(2-hydroxyethyl)urea is O=C(NCCO)Nc1ccc(Br)c(OC(F)(F)F)n1.
What is the InChIKey of 1-[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]-3-(2-hydroxyethyl)urea?
The InChIKey is TVQZVAZMNABOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3N3O3/c10-5-1-2-6(16-8(18)14-3-4-17)15-7(5)19-9(11,12)13/h1-2,17H,3-4H2,(H2,14,15,16,18).
What are the key properties of 1-[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]-3-(2-hydroxyethyl)urea?
1-[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]-3-(2-hydroxyethyl)urea has a molecular weight of 344.09 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-6-(trifluoromethoxy)-2-pyridinyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 167988054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).