(1R)-1-(4-bromo-3-nitrophenyl)-2-iodoethanol

C8H7BrINO3 — CID 139986191

IUPAC(1R)-1-(4-bromo-3-nitrophenyl)-2-iodoethanol
SMILESO=[N+]([O-])c1cc([C@@H](O)CI)ccc1Br
InChIInChI=1S/C8H7BrINO3/c9-6-2-1-5(8(12)4-10)3-7(6)11(13)14/h1-3,8,12H,4H2/t8-/m0/s1
InChIKeyPMPPIYZJFTZUFW-QMMMGPOBSA-N
MW371.96 g/mol
LogP2.83
Rot. Bonds3

About (1R)-1-(4-bromo-3-nitrophenyl)-2-iodoethanol

(1R)-1-(4-bromo-3-nitrophenyl)-2-iodoethanol (PubChem CID 139986191) has the molecular formula C8H7BrINO3 and a molecular weight of 371.96 g/mol. Its IUPAC name is (1R)-1-(4-bromo-3-nitrophenyl)-2-iodoethanol.

Molecular Properties

Compound Name(1R)-1-(4-bromo-3-nitrophenyl)-2-iodoethanol
PubChem CID139986191
Molecular FormulaC8H7BrINO3
Molecular Weight371.96 g/mol
Exact Mass370.87
IUPAC Name(1R)-1-(4-bromo-3-nitrophenyl)-2-iodoethanol
SMILESO=[N+]([O-])c1cc([C@@H](O)CI)ccc1Br
InChIInChI=1S/C8H7BrINO3/c9-6-2-1-5(8(12)4-10)3-7(6)11(13)14/h1-3,8,12H,4H2/t8-/m0/s1
InChIKeyPMPPIYZJFTZUFW-QMMMGPOBSA-N
XLogP2.83
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.96
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

1-(4-bromo-3-nitrophenyl)ethanol
CID 25170823
(4S)-4-amino-4-(4-bromo-3-nitrophenyl)butan-1-ol
CID 171225842
(1R)-1-(4-bromo-3-nitrophenyl)propane-1,3-diamine;hydrochloride
CID 171206218
(1S,2R)-1-amino-1-(4-bromo-3-nitrophenyl)-5-methylhexan-2-ol
CID 171268511
(1S,2R)-1-amino-1-(4-bromo-3-nitrophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171268512
2-amino-2-(4-bromo-3-nitrophenyl)acetonitrile
CID 130060051
(1R,2S)-2-amino-2-(4-bromo-3-nitrophenyl)-1-cyclobutylethanol;hydrochloride
CID 171268494
(1R,2S)-2-amino-2-(4-bromo-3-nitrophenyl)-1-cyclopentylethanol;hydrochloride
CID 171268496
(1R)-1-(4-bromo-3-nitrophenyl)pentan-1-amine;hydrochloride
CID 171206231
(R)-(4-bromo-3-nitrophenyl)-cyclopropylmethanamine;hydrochloride
CID 171206245
1-(4-bromo-3-nitrophenyl)propan-1-one
CID 3362692
(S)-(4-bromo-3-nitrophenyl)-cyclopentylmethanamine
CID 171225820

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-3-nitrophenyl)-2-iodoethanol?
The IUPAC name of (1R)-1-(4-bromo-3-nitrophenyl)-2-iodoethanol (CID 139986191) is (1R)-1-(4-bromo-3-nitrophenyl)-2-iodoethanol.
What is the SMILES notation for (1R)-1-(4-bromo-3-nitrophenyl)-2-iodoethanol?
The canonical SMILES for (1R)-1-(4-bromo-3-nitrophenyl)-2-iodoethanol is O=[N+]([O-])c1cc([C@@H](O)CI)ccc1Br.
What is the InChIKey of (1R)-1-(4-bromo-3-nitrophenyl)-2-iodoethanol?
The InChIKey is PMPPIYZJFTZUFW-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H7BrINO3/c9-6-2-1-5(8(12)4-10)3-7(6)11(13)14/h1-3,8,12H,4H2/t8-/m0/s1.
What are the key properties of (1R)-1-(4-bromo-3-nitrophenyl)-2-iodoethanol?
(1R)-1-(4-bromo-3-nitrophenyl)-2-iodoethanol has a molecular weight of 371.96 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-3-nitrophenyl)-2-iodoethanol is sourced from PubChem (CID 139986191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).