3-(2-bromo-4,6-dichloroanilino)propane-1,2-diol

C9H10BrCl2NO2 — CID 168593328

IUPAC3-(2-bromo-4,6-dichloroanilino)propane-1,2-diol
SMILESOCC(O)CNc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C9H10BrCl2NO2/c10-7-1-5(11)2-8(12)9(7)13-3-6(15)4-14/h1-2,6,13-15H,3-4H2
InChIKeyPNMCOIKJMUQLHP-UHFFFAOYSA-N
MW314.99 g/mol
LogP2.52
Rot. Bonds4

About 3-(2-bromo-4,6-dichloroanilino)propane-1,2-diol

3-(2-bromo-4,6-dichloroanilino)propane-1,2-diol (PubChem CID 168593328) has the molecular formula C9H10BrCl2NO2 and a molecular weight of 314.99 g/mol. Its IUPAC name is 3-(2-bromo-4,6-dichloroanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-bromo-4,6-dichloroanilino)propane-1,2-diol
PubChem CID168593328
Molecular FormulaC9H10BrCl2NO2
Molecular Weight314.99 g/mol
Exact Mass312.93
IUPAC Name3-(2-bromo-4,6-dichloroanilino)propane-1,2-diol
SMILESOCC(O)CNc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C9H10BrCl2NO2/c10-7-1-5(11)2-8(12)9(7)13-3-6(15)4-14/h1-2,6,13-15H,3-4H2
InChIKeyPNMCOIKJMUQLHP-UHFFFAOYSA-N
XLogP2.52
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.99
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(2,4,6-tribromoanilino)propane-1,2-diol
CID 61142582
3-(3-bromo-4-chloroanilino)propane-1,2-diol
CID 82850538
3-[2-bromo-4-(difluoromethyl)-6-fluoroanilino]propane-1,2-diol
CID 168595660
2,4-dibromo-1-(2,3-dihydroxypropylamino)anthracene-9,10-dione
CID 168594053
3-chloro-4-(2,3-dihydroxypropylamino)-5-iodobenzonitrile
CID 168597486
3-(3-bromo-5-chloro-4-methoxyanilino)propane-1,2-diol
CID 168597233
3-(4-chloroanilino)propane-1,2-diol
CID 76891534
3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol
CID 168593759
1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol
CID 63487848
2,4,6-trichloro-N-(2,2-difluoroethyl)aniline
CID 60922157
3-(2,3,5,6-tetramethylanilino)propane-1,2-diol
CID 115121873
3-(2,5-dibromoanilino)propane-1,2-diol
CID 76904670

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4,6-dichloroanilino)propane-1,2-diol?
The IUPAC name of 3-(2-bromo-4,6-dichloroanilino)propane-1,2-diol (CID 168593328) is 3-(2-bromo-4,6-dichloroanilino)propane-1,2-diol.
What is the SMILES notation for 3-(2-bromo-4,6-dichloroanilino)propane-1,2-diol?
The canonical SMILES for 3-(2-bromo-4,6-dichloroanilino)propane-1,2-diol is OCC(O)CNc1c(Cl)cc(Cl)cc1Br.
What is the InChIKey of 3-(2-bromo-4,6-dichloroanilino)propane-1,2-diol?
The InChIKey is PNMCOIKJMUQLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrCl2NO2/c10-7-1-5(11)2-8(12)9(7)13-3-6(15)4-14/h1-2,6,13-15H,3-4H2.
What are the key properties of 3-(2-bromo-4,6-dichloroanilino)propane-1,2-diol?
3-(2-bromo-4,6-dichloroanilino)propane-1,2-diol has a molecular weight of 314.99 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4,6-dichloroanilino)propane-1,2-diol is sourced from PubChem (CID 168593328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).