[6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine

C12H12ClN5O3 — CID 80938296

IUPAC[6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Oc2cc(Cl)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H12ClN5O3/c1-2-10-15-11(17-14)6-12(16-10)21-9-5-7(13)3-4-8(9)18(19)20/h3-6H,2,14H2,1H3,(H,15,16,17)
InChIKeyIITISTPCSNAGED-UHFFFAOYSA-N
MW309.71 g/mol
LogP2.68
Rot. Bonds5

About [6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine

[6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine (PubChem CID 80938296) has the molecular formula C12H12ClN5O3 and a molecular weight of 309.71 g/mol. Its IUPAC name is [6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
PubChem CID80938296
Molecular FormulaC12H12ClN5O3
Molecular Weight309.71 g/mol
Exact Mass309.06
IUPAC Name[6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Oc2cc(Cl)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H12ClN5O3/c1-2-10-15-11(17-14)6-12(16-10)21-9-5-7(13)3-4-8(9)18(19)20/h3-6H,2,14H2,1H3,(H,15,16,17)
InChIKeyIITISTPCSNAGED-UHFFFAOYSA-N
XLogP2.68
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

[6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938715
6-(5-chloro-2-nitrophenoxy)-2-ethyl-5-methylpyrimidin-4-amine
CID 80991124
6-(4-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-amine
CID 80941048
4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80912253
6-(5-chloro-2-nitrophenoxy)-N-ethylpyrimidin-4-amine
CID 80872389
4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80925193
[2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 80940358
6-(4-bromo-2-nitrophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80939103
[4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80920555
[6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633680
4-chloro-2-ethyl-6-(4-methyl-2-nitrophenoxy)pyrimidine
CID 80944763
6-(2,4-dichlorophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80938694

Frequently Asked Questions

What is the IUPAC name of [6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine (CID 80938296) is [6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine is CCc1nc(NN)cc(Oc2cc(Cl)ccc2[N+](=O)[O-])n1.
What is the InChIKey of [6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
The InChIKey is IITISTPCSNAGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O3/c1-2-10-15-11(17-14)6-12(16-10)21-9-5-7(13)3-4-8(9)18(19)20/h3-6H,2,14H2,1H3,(H,15,16,17).
What are the key properties of [6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
[6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine has a molecular weight of 309.71 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80938296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).