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

C11H10ClN5O3 — CID 80921197

IUPAC[6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)ncnc1Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H10ClN5O3/c1-6-10(16-13)14-5-15-11(6)20-9-3-2-7(17(18)19)4-8(9)12/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyBQEGMXJELQKXQT-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.42
Rot. Bonds4

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

[6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 80921197) has the molecular formula C11H10ClN5O3 and a molecular weight of 295.69 g/mol. Its IUPAC name is [6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine
PubChem CID80921197
Molecular FormulaC11H10ClN5O3
Molecular Weight295.69 g/mol
Exact Mass295.05
IUPAC Name[6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)ncnc1Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H10ClN5O3/c1-6-10(16-13)14-5-15-11(6)20-9-3-2-7(17(18)19)4-8(9)12/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyBQEGMXJELQKXQT-UHFFFAOYSA-N
XLogP2.42
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.42
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-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920687
4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine
CID 63736070
[5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920169
[6-(4-chloro-2-methylphenoxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80917047
[3,5-dichloro-6-(2-methyl-5-nitrophenoxy)-2-pyridinyl]hydrazine
CID 102762949
2-chloro-4-(2-chloro-4-nitrophenoxy)-5-methylpyridine
CID 83268344
6-(2,4-dichlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 112725350
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
CID 2210667
5-(2-chloro-4-nitrophenoxy)-1,3-thiazole
CID 69491684
[6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80924994
6-(5-chloro-2-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80873099
6-(2-chloro-5-nitrophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80880394

Frequently Asked Questions

What is the IUPAC name of [6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine (CID 80921197) is [6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine is Cc1c(NN)ncnc1Oc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of [6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is BQEGMXJELQKXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O3/c1-6-10(16-13)14-5-15-11(6)20-9-3-2-7(17(18)19)4-8(9)12/h2-5H,13H2,1H3,(H,14,15,16).
What are the key properties of [6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine?
[6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 295.69 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80921197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).