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

C10H8ClN5O3 — CID 80920687

IUPAC[6-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Oc2ccc([N+](=O)[O-])cc2Cl)ncn1
InChIInChI=1S/C10H8ClN5O3/c11-7-3-6(16(17)18)1-2-8(7)19-10-4-9(15-12)13-5-14-10/h1-5H,12H2,(H,13,14,15)
InChIKeyZNHAGBFSLNMAFT-UHFFFAOYSA-N
MW281.66 g/mol
LogP2.12
Rot. Bonds4

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

[6-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80920687) has the molecular formula C10H8ClN5O3 and a molecular weight of 281.66 g/mol. Its IUPAC name is [6-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
PubChem CID80920687
Molecular FormulaC10H8ClN5O3
Molecular Weight281.66 g/mol
Exact Mass281.03
IUPAC Name[6-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Oc2ccc([N+](=O)[O-])cc2Cl)ncn1
InChIInChI=1S/C10H8ClN5O3/c11-7-3-6(16(17)18)1-2-8(7)19-10-4-9(15-12)13-5-14-10/h1-5H,12H2,(H,13,14,15)
InChIKeyZNHAGBFSLNMAFT-UHFFFAOYSA-N
XLogP2.12
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 52.12
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-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920516
[6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80921197
6-(2-chloro-4-nitrophenoxy)pyridin-3-amine
CID 114049044
[6-(5-fluoro-2-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920512
[6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 114418608
2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine
CID 63963412
5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916898
6-(2-chloro-4-nitrophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80878734
6-(2-chloro-4-nitrophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 80878741
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
[6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80912867
3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole
CID 166540212

Frequently Asked Questions

What is the IUPAC name of [6-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine (CID 80920687) is [6-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine is NNc1cc(Oc2ccc([N+](=O)[O-])cc2Cl)ncn1.
What is the InChIKey of [6-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is ZNHAGBFSLNMAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O3/c11-7-3-6(16(17)18)1-2-8(7)19-10-4-9(15-12)13-5-14-10/h1-5H,12H2,(H,13,14,15).
What are the key properties of [6-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine?
[6-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 281.66 g/mol, XLogP of 2.12, 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)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80920687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).