(1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol

C14H13BrN2O4 — CID 103588918

IUPAC(1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(Oc2cc(Br)cc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C14H13BrN2O4/c1-2-14(18)13-4-3-11(8-16-13)21-12-6-9(15)5-10(7-12)17(19)20/h3-8,14,18H,2H2,1H3/t14-/m1/s1
InChIKeyNWCWXQNWCTVBDG-CQSZACIVSA-N
MW353.17 g/mol
LogP3.99
Rot. Bonds5

About (1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol

(1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol (PubChem CID 103588918) has the molecular formula C14H13BrN2O4 and a molecular weight of 353.17 g/mol. Its IUPAC name is (1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol
PubChem CID103588918
Molecular FormulaC14H13BrN2O4
Molecular Weight353.17 g/mol
Exact Mass352.01
IUPAC Name(1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(Oc2cc(Br)cc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C14H13BrN2O4/c1-2-14(18)13-4-3-11(8-16-13)21-12-6-9(15)5-10(7-12)17(19)20/h3-8,14,18H,2H2,1H3/t14-/m1/s1
InChIKeyNWCWXQNWCTVBDG-CQSZACIVSA-N
XLogP3.99
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940555
(1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103588798
1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940569
1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940567
(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125211
1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940584
1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 115940057
(1S)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 103939202
(1S)-1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939120
1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 112585568
1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 107284909
1-[5-(2-chloro-6-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 107717322

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol?
The IUPAC name of (1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol (CID 103588918) is (1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol is CC[C@@H](O)c1ccc(Oc2cc(Br)cc([N+](=O)[O-])c2)cn1.
What is the InChIKey of (1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol?
The InChIKey is NWCWXQNWCTVBDG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H13BrN2O4/c1-2-14(18)13-4-3-11(8-16-13)21-12-6-9(15)5-10(7-12)17(19)20/h3-8,14,18H,2H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol?
(1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol has a molecular weight of 353.17 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103588918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).