N-[2-(2-chlorophenoxy)ethyl]-5-nitropyridin-2-amine

C13H12ClN3O3 — CID 2975218

IUPACN-[2-(2-chlorophenoxy)ethyl]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCCOc2ccccc2Cl)nc1
InChIInChI=1S/C13H12ClN3O3/c14-11-3-1-2-4-12(11)20-8-7-15-13-6-5-10(9-16-13)17(18)19/h1-6,9H,7-8H2,(H,15,16)
InChIKeyPPLBMVVITHIJOV-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.13
Rot. Bonds6

About N-[2-(2-chlorophenoxy)ethyl]-5-nitropyridin-2-amine

N-[2-(2-chlorophenoxy)ethyl]-5-nitropyridin-2-amine (PubChem CID 2975218) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-5-nitropyridin-2-amine
PubChem CID2975218
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCCOc2ccccc2Cl)nc1
InChIInChI=1S/C13H12ClN3O3/c14-11-3-1-2-4-12(11)20-8-7-15-13-6-5-10(9-16-13)17(18)19/h1-6,9H,7-8H2,(H,15,16)
InChIKeyPPLBMVVITHIJOV-UHFFFAOYSA-N
XLogP3.13
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-(4-methoxyphenyl)-5-nitropyridin-2-amine
CID 2848906
N-(2-methoxyphenyl)-3-nitropyridin-2-amine
CID 2842434
2-(2-chlorophenoxy)-N-(5-chloro-2-pyridinyl)acetamide
CID 883796
2-(3-chlorophenoxy)-N-(5-nitropyridin-2-yl)propanamide
CID 2932567
4-[[4-(2,6-Dichlorophenoxy)-5-nitro-2-pyridyl]amino]benzonitrile
CID 76314680
N-(3-ethoxyphenyl)-5-nitropyridin-2-amine
CID 2849132
N-(2-methoxyphenyl)-5-nitropyridin-2-amine
CID 2849223
[2-(3-Methoxyphenoxy)ethyl](5-nitro(2-pyridyl))amine
CID 4022772
N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine
CID 2921670
2-(4-Methoxyphenylamino)-6-chloro-3-nitropyridine
CID 43152659
6-chloro-N-(4-ethoxyphenyl)-3-nitropyridin-2-amine
CID 43330269
N-(4-methoxyphenyl)-3-nitropyridin-2-amine
CID 4197917

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-5-nitropyridin-2-amine (CID 2975218) is N-[2-(2-chlorophenoxy)ethyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-5-nitropyridin-2-amine is O=[N+]([O-])c1ccc(NCCOc2ccccc2Cl)nc1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-5-nitropyridin-2-amine?
The InChIKey is PPLBMVVITHIJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c14-11-3-1-2-4-12(11)20-8-7-15-13-6-5-10(9-16-13)17(18)19/h1-6,9H,7-8H2,(H,15,16).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-5-nitropyridin-2-amine?
N-[2-(2-chlorophenoxy)ethyl]-5-nitropyridin-2-amine has a molecular weight of 293.71 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 2975218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).