3-(2,5-dibromoanilino)propane-1,2-diol

C9H11Br2NO2 — CID 76904670

IUPAC3-(2,5-dibromoanilino)propane-1,2-diol
SMILESOCC(O)CNc1cc(Br)ccc1Br
InChIInChI=1S/C9H11Br2NO2/c10-6-1-2-8(11)9(3-6)12-4-7(14)5-13/h1-3,7,12-14H,4-5H2
InChIKeyHMDPVBCYYMPYDY-UHFFFAOYSA-N
MW325.00 g/mol
LogP1.98
Rot. Bonds4

About 3-(2,5-dibromoanilino)propane-1,2-diol

3-(2,5-dibromoanilino)propane-1,2-diol (PubChem CID 76904670) has the molecular formula C9H11Br2NO2 and a molecular weight of 325.00 g/mol. Its IUPAC name is 3-(2,5-dibromoanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,5-dibromoanilino)propane-1,2-diol
PubChem CID76904670
Molecular FormulaC9H11Br2NO2
Molecular Weight325.00 g/mol
Exact Mass322.92
IUPAC Name3-(2,5-dibromoanilino)propane-1,2-diol
SMILESOCC(O)CNc1cc(Br)ccc1Br
InChIInChI=1S/C9H11Br2NO2/c10-6-1-2-8(11)9(3-6)12-4-7(14)5-13/h1-3,7,12-14H,4-5H2
InChIKeyHMDPVBCYYMPYDY-UHFFFAOYSA-N
XLogP1.98
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.00
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromoanilino)butan-2-ol
CID 61467144
3-(4-bromo-2-fluoroanilino)propane-1,2-diol
CID 76891707
1-[4-bromo-3-(2,3-dihydroxypropylamino)phenyl]ethanone
CID 168594040
(2S)-3-(4-bromo-2-ethylanilino)propane-1,2-diol
CID 81292963
1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol
CID 103157464
3-(5-bromo-2-ethoxyanilino)propane-1,2-diol
CID 168596387
2,5-dibromo-N-(2,2-difluoroethyl)aniline
CID 61467186
3-(2,4-dibromo-5-methylanilino)propane-1,2-diol
CID 168596416
1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 61467302
2-(2,5-dibromoanilino)ethanol
CID 61467228
3-[2-bromo-4,5-bis(trifluoromethyl)anilino]propane-1,2-diol
CID 168595054
(2S)-3-(2,4,6-tribromoanilino)propane-1,2-diol
CID 61142582

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dibromoanilino)propane-1,2-diol?
The IUPAC name of 3-(2,5-dibromoanilino)propane-1,2-diol (CID 76904670) is 3-(2,5-dibromoanilino)propane-1,2-diol.
What is the SMILES notation for 3-(2,5-dibromoanilino)propane-1,2-diol?
The canonical SMILES for 3-(2,5-dibromoanilino)propane-1,2-diol is OCC(O)CNc1cc(Br)ccc1Br.
What is the InChIKey of 3-(2,5-dibromoanilino)propane-1,2-diol?
The InChIKey is HMDPVBCYYMPYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NO2/c10-6-1-2-8(11)9(3-6)12-4-7(14)5-13/h1-3,7,12-14H,4-5H2.
What are the key properties of 3-(2,5-dibromoanilino)propane-1,2-diol?
3-(2,5-dibromoanilino)propane-1,2-diol has a molecular weight of 325.00 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dibromoanilino)propane-1,2-diol is sourced from PubChem (CID 76904670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).