(1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine

C13H11Cl2N3O3 — CID 107500145

IUPAC(1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H11Cl2N3O3/c1-7(16)11-3-2-8(6-17-11)21-13-5-10(15)9(14)4-12(13)18(19)20/h2-7H,16H2,1H3/t7-/m1/s1
InChIKeyLUGCGWWEFQEGSI-SSDOTTSWSA-N
MW328.16 g/mol
LogP4.11
Rot. Bonds4

About (1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine

(1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine (PubChem CID 107500145) has the molecular formula C13H11Cl2N3O3 and a molecular weight of 328.16 g/mol. Its IUPAC name is (1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine
PubChem CID107500145
Molecular FormulaC13H11Cl2N3O3
Molecular Weight328.16 g/mol
Exact Mass327.02
IUPAC Name(1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H11Cl2N3O3/c1-7(16)11-3-2-8(6-17-11)21-13-5-10(15)9(14)4-12(13)18(19)20/h2-7H,16H2,1H3/t7-/m1/s1
InChIKeyLUGCGWWEFQEGSI-SSDOTTSWSA-N
XLogP4.11
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.11
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'}

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Related Compounds

1-[5-(2,4,5-trichlorophenoxy)-2-pyridinyl]ethanamine
CID 83127680
(1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103201762
(1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83111625
(1S)-1-[5-(5-chloro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124657
(1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83124262
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83109960
1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83123552
1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine
CID 104831856
(1S)-1-[5-(5-bromo-2-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83123226
1-[5-(5-bromo-2-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83124274
1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 102702826
(1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103588798

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine (CID 107500145) is (1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine is C[C@@H](N)c1ccc(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])cn1.
What is the InChIKey of (1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine?
The InChIKey is LUGCGWWEFQEGSI-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3/c1-7(16)11-3-2-8(6-17-11)21-13-5-10(15)9(14)4-12(13)18(19)20/h2-7H,16H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine?
(1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine has a molecular weight of 328.16 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(4,5-dichloro-2-nitrophenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 107500145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).