(2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile

C8H5Br3N2O — CID 130943688

IUPAC(2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile
SMILESN#C[C@H](N)c1c(Br)cc(Br)c(O)c1Br
InChIInChI=1S/C8H5Br3N2O/c9-3-1-4(10)8(14)7(11)6(3)5(13)2-12/h1,5,14H,13H2/t5-/m0/s1
InChIKeyPLBYKBPQXDIXSB-YFKPBYRVSA-N
MW384.85 g/mol
LogP3.20
Rot. Bonds1

About (2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile

(2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile (PubChem CID 130943688) has the molecular formula C8H5Br3N2O and a molecular weight of 384.85 g/mol. Its IUPAC name is (2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile
PubChem CID130943688
Molecular FormulaC8H5Br3N2O
Molecular Weight384.85 g/mol
Exact Mass381.80
IUPAC Name(2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile
SMILESN#C[C@H](N)c1c(Br)cc(Br)c(O)c1Br
InChIInChI=1S/C8H5Br3N2O/c9-3-1-4(10)8(14)7(11)6(3)5(13)2-12/h1,5,14H,13H2/t5-/m0/s1
InChIKeyPLBYKBPQXDIXSB-YFKPBYRVSA-N
XLogP3.20
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride
CID 171245096
2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171236025
3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol
CID 131435618
3-[(1R)-1-aminoprop-2-enyl]-2,4,6-tribromophenol;hydrochloride
CID 171216400
2,4,6-tribromo-3-[(1S)-1,4-diaminobutyl]phenol
CID 171236028
3-[(1S)-1-aminobutyl]-2,4,6-tribromophenol
CID 131342741
3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol
CID 131325612
3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol
CID 131530626
2,4,6-tribromo-3-[(1R)-1,5-diaminopentyl]phenol
CID 171216396
3-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,4,6-tribromophenol
CID 171251836
3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol
CID 171266180
3-[(R)-amino(thiophen-3-yl)methyl]-2,4,6-tribromophenol
CID 171216422

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile?
The IUPAC name of (2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile (CID 130943688) is (2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile.
What is the SMILES notation for (2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile?
The canonical SMILES for (2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile is N#C[C@H](N)c1c(Br)cc(Br)c(O)c1Br.
What is the InChIKey of (2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile?
The InChIKey is PLBYKBPQXDIXSB-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H5Br3N2O/c9-3-1-4(10)8(14)7(11)6(3)5(13)2-12/h1,5,14H,13H2/t5-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile?
(2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile has a molecular weight of 384.85 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 130943688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).