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

C11H9Cl2N5O3 — CID 80920125

IUPAC[4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
SMILESCc1cnc(NN)nc1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H9Cl2N5O3/c1-5-4-15-11(17-14)16-10(5)21-9-7(12)2-6(18(19)20)3-8(9)13/h2-4H,14H2,1H3,(H,15,16,17)
InChIKeyYTVVGDGVHNMBQH-UHFFFAOYSA-N
MW330.13 g/mol
LogP3.08
Rot. Bonds4

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

[4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine (PubChem CID 80920125) has the molecular formula C11H9Cl2N5O3 and a molecular weight of 330.13 g/mol. Its IUPAC name is [4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
PubChem CID80920125
Molecular FormulaC11H9Cl2N5O3
Molecular Weight330.13 g/mol
Exact Mass329.01
IUPAC Name[4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
SMILESCc1cnc(NN)nc1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H9Cl2N5O3/c1-5-4-15-11(17-14)16-10(5)21-9-7(12)2-6(18(19)20)3-8(9)13/h2-4H,14H2,1H3,(H,15,16,17)
InChIKeyYTVVGDGVHNMBQH-UHFFFAOYSA-N
XLogP3.08
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 53.08
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

[4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80921201
2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine
CID 83269017
[4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80915153
2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 102749646
[5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 107501836
5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 103583685
[4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80918360
5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine
CID 79733335
[5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80911443
4-(5-chloro-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80873875
[4-(4-methylphenoxy)-5-nitropyrimidin-2-yl]hydrazine
CID 114045144
4-(5-chloro-2-nitrophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80880446

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine (CID 80920125) is [4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine is Cc1cnc(NN)nc1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl.
What is the InChIKey of [4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine?
The InChIKey is YTVVGDGVHNMBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N5O3/c1-5-4-15-11(17-14)16-10(5)21-9-7(12)2-6(18(19)20)3-8(9)13/h2-4H,14H2,1H3,(H,15,16,17).
What are the key properties of [4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine?
[4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine has a molecular weight of 330.13 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80920125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).