[5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine

C11H10ClN5O4 — CID 80911443

IUPAC[5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
SMILESCOc1ccc(Oc2nc(NN)ncc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H10ClN5O4/c1-20-6-2-3-9(8(4-6)17(18)19)21-10-7(12)5-14-11(15-10)16-13/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyRIIKOXSZGWNOCW-UHFFFAOYSA-N
MW311.69 g/mol
LogP2.12
Rot. Bonds5

About [5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine

[5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80911443) has the molecular formula C11H10ClN5O4 and a molecular weight of 311.69 g/mol. Its IUPAC name is [5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
PubChem CID80911443
Molecular FormulaC11H10ClN5O4
Molecular Weight311.69 g/mol
Exact Mass311.04
IUPAC Name[5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
SMILESCOc1ccc(Oc2nc(NN)ncc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H10ClN5O4/c1-20-6-2-3-9(8(4-6)17(18)19)21-10-7(12)5-14-11(15-10)16-13/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyRIIKOXSZGWNOCW-UHFFFAOYSA-N
XLogP2.12
TPSA125.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-amine
CID 80870955
5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine
CID 103202398
5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine
CID 103583671
[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80914939
[5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 107501836
3,6-dichloro-5-(4-methoxy-2-nitrophenoxy)-1,2,4-triazine
CID 81037104
5-chloro-N-methyl-4-(3-methyl-4-nitrophenoxy)pyrimidin-2-amine
CID 80871950
[6-(4-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80911771
(5-chloro-4-methoxypyrimidin-2-yl)hydrazine
CID 80911079
[4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine
CID 114045144
3-chloro-4-(4-methoxy-2-nitrophenoxy)-1,2,5-thiadiazole
CID 60726071
[5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80918493

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine (CID 80911443) is [5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine is COc1ccc(Oc2nc(NN)ncc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of [5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is RIIKOXSZGWNOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O4/c1-20-6-2-3-9(8(4-6)17(18)19)21-10-7(12)5-14-11(15-10)16-13/h2-5H,13H2,1H3,(H,14,15,16).
What are the key properties of [5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine?
[5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 311.69 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80911443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).