4-(2,6-dibromoanilino)oxolan-3-ol

C10H11Br2NO2 — CID 107598854

IUPAC4-(2,6-dibromoanilino)oxolan-3-ol
SMILESOC1COCC1Nc1c(Br)cccc1Br
InChIInChI=1S/C10H11Br2NO2/c11-6-2-1-3-7(12)10(6)13-8-4-15-5-9(8)14/h1-3,8-9,13-14H,4-5H2
InChIKeyAOZIPOQKJFYESB-UHFFFAOYSA-N
MW337.01 g/mol
LogP2.38
Rot. Bonds2

About 4-(2,6-dibromoanilino)oxolan-3-ol

4-(2,6-dibromoanilino)oxolan-3-ol (PubChem CID 107598854) has the molecular formula C10H11Br2NO2 and a molecular weight of 337.01 g/mol. Its IUPAC name is 4-(2,6-dibromoanilino)oxolan-3-ol.

Molecular Properties

Compound Name4-(2,6-dibromoanilino)oxolan-3-ol
PubChem CID107598854
Molecular FormulaC10H11Br2NO2
Molecular Weight337.01 g/mol
Exact Mass334.92
IUPAC Name4-(2,6-dibromoanilino)oxolan-3-ol
SMILESOC1COCC1Nc1c(Br)cccc1Br
InChIInChI=1S/C10H11Br2NO2/c11-6-2-1-3-7(12)10(6)13-8-4-15-5-9(8)14/h1-3,8-9,13-14H,4-5H2
InChIKeyAOZIPOQKJFYESB-UHFFFAOYSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.01
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-anilinooxolan-3-ol
CID 93383619
4-[(3-bromo-2-hydroxyphenyl)methylamino]oxolan-3-ol
CID 115919658
(3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol
CID 126846659
(3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol
CID 128565486
4-(3-fluoroanilino)oxolan-3-ol
CID 60896820
2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid
CID 107601036
4-(naphthalen-1-ylamino)oxolan-3-ol
CID 60898015
4-(2-methylanilino)oxolan-3-ol
CID 60901507
2,6-dibromo-N-(2-methylcyclohexyl)aniline
CID 107597104
4-(4-bromo-2-fluoroanilino)oxolan-3-ol
CID 60898846
4-(3-ethylanilino)oxolan-3-ol
CID 60902246
N-(2,6-dibromophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 107597744

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dibromoanilino)oxolan-3-ol?
The IUPAC name of 4-(2,6-dibromoanilino)oxolan-3-ol (CID 107598854) is 4-(2,6-dibromoanilino)oxolan-3-ol.
What is the SMILES notation for 4-(2,6-dibromoanilino)oxolan-3-ol?
The canonical SMILES for 4-(2,6-dibromoanilino)oxolan-3-ol is OC1COCC1Nc1c(Br)cccc1Br.
What is the InChIKey of 4-(2,6-dibromoanilino)oxolan-3-ol?
The InChIKey is AOZIPOQKJFYESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO2/c11-6-2-1-3-7(12)10(6)13-8-4-15-5-9(8)14/h1-3,8-9,13-14H,4-5H2.
What are the key properties of 4-(2,6-dibromoanilino)oxolan-3-ol?
4-(2,6-dibromoanilino)oxolan-3-ol has a molecular weight of 337.01 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dibromoanilino)oxolan-3-ol is sourced from PubChem (CID 107598854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).