(2S)-2-bromopropan-1-ol;nitric acid

C3H8BrNO4 — CID 71377270

IUPAC(2S)-2-bromopropan-1-ol;nitric acid
SMILESC[C@H](Br)CO.O=[N+]([O-])O
InChIInChI=1S/C3H7BrO.HNO3/c1-3(4)2-5;2-1(3)4/h3,5H,2H2,1H3;(H,2,3,4)/t3-;/m0./s1
InChIKeyWFEIYHSGCLXOTO-DFWYDOINSA-N
MW202.00 g/mol
LogP0.41
Rot. Bonds1

About (2S)-2-bromopropan-1-ol;nitric acid

(2S)-2-bromopropan-1-ol;nitric acid (PubChem CID 71377270) has the molecular formula C3H8BrNO4 and a molecular weight of 202.00 g/mol. Its IUPAC name is (2S)-2-bromopropan-1-ol;nitric acid.

Molecular Properties

Compound Name(2S)-2-bromopropan-1-ol;nitric acid
PubChem CID71377270
Molecular FormulaC3H8BrNO4
Molecular Weight202.00 g/mol
Exact Mass200.96
IUPAC Name(2S)-2-bromopropan-1-ol;nitric acid
SMILESC[C@H](Br)CO.O=[N+]([O-])O
InChIInChI=1S/C3H7BrO.HNO3/c1-3(4)2-5;2-1(3)4/h3,5H,2H2,1H3;(H,2,3,4)/t3-;/m0./s1
InChIKeyWFEIYHSGCLXOTO-DFWYDOINSA-N
XLogP0.41
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.00
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-bromopropan-1-ol
CID 12579096
(2R)-2-bromo-2-nitroethanol
CID 76972500
2-methylbutane;nitric acid
CID 158412732
2-bromo-1-nitropropane-1,3-diol
CID 22119338
sodium;propane-1,2-diol;nitrate
CID 174898627
2-methylpropan-1-amine;nitric acid
CID 71390480
propane-1,2-diol;yttrium(3+);trinitrate
CID 172735884
butane-1,2-diol;bis(nitric acid)
CID 86200178
1-aminoethanol;bis(nitric acid)
CID 173099484
3-bromo-4-nitropentan-1-ol
CID 174456349
ethene;tris(nitric acid);propane-1,2,3-triol
CID 173206500
1,3-dihydroxypropan-2-yl nitrate;nitric acid
CID 174772297

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromopropan-1-ol;nitric acid?
The IUPAC name of (2S)-2-bromopropan-1-ol;nitric acid (CID 71377270) is (2S)-2-bromopropan-1-ol;nitric acid.
What is the SMILES notation for (2S)-2-bromopropan-1-ol;nitric acid?
The canonical SMILES for (2S)-2-bromopropan-1-ol;nitric acid is C[C@H](Br)CO.O=[N+]([O-])O.
What is the InChIKey of (2S)-2-bromopropan-1-ol;nitric acid?
The InChIKey is WFEIYHSGCLXOTO-DFWYDOINSA-N. The full InChI is InChI=1S/C3H7BrO.HNO3/c1-3(4)2-5;2-1(3)4/h3,5H,2H2,1H3;(H,2,3,4)/t3-;/m0./s1.
What are the key properties of (2S)-2-bromopropan-1-ol;nitric acid?
(2S)-2-bromopropan-1-ol;nitric acid has a molecular weight of 202.00 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromopropan-1-ol;nitric acid is sourced from PubChem (CID 71377270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).