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

C10H8ClN5O3 — CID 80911648

IUPAC[4-(4-chloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
SMILESNNc1nccc(Oc2ccc(Cl)cc2[N+](=O)[O-])n1
InChIInChI=1S/C10H8ClN5O3/c11-6-1-2-8(7(5-6)16(17)18)19-9-3-4-13-10(14-9)15-12/h1-5H,12H2,(H,13,14,15)
InChIKeySXYDUSIENRPDAY-UHFFFAOYSA-N
MW281.66 g/mol
LogP2.12
Rot. Bonds4

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

[4-(4-chloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80911648) has the molecular formula C10H8ClN5O3 and a molecular weight of 281.66 g/mol. Its IUPAC name is [4-(4-chloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-chloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
PubChem CID80911648
Molecular FormulaC10H8ClN5O3
Molecular Weight281.66 g/mol
Exact Mass281.03
IUPAC Name[4-(4-chloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
SMILESNNc1nccc(Oc2ccc(Cl)cc2[N+](=O)[O-])n1
InChIInChI=1S/C10H8ClN5O3/c11-6-1-2-8(7(5-6)16(17)18)19-9-3-4-13-10(14-9)15-12/h1-5H,12H2,(H,13,14,15)
InChIKeySXYDUSIENRPDAY-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

[4-(4-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920014
4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80912253
[4-(2-chloro-6-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 107719446
[4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine
CID 80922000
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
2-bromo-6-(4-chloro-2-nitrophenoxy)pyridine
CID 63961282
[4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920432
[4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 81499626
[4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine
CID 80916101
[4-(2,4-difluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80917292
3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-carboxylic acid
CID 29033059
2-chloro-3-(4-chloro-2-nitrophenoxy)pyridine
CID 12569050

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(4-chloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine (CID 80911648) is [4-(4-chloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-chloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(4-chloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine is NNc1nccc(Oc2ccc(Cl)cc2[N+](=O)[O-])n1.
What is the InChIKey of [4-(4-chloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is SXYDUSIENRPDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O3/c11-6-1-2-8(7(5-6)16(17)18)19-9-3-4-13-10(14-9)15-12/h1-5H,12H2,(H,13,14,15).
What are the key properties of [4-(4-chloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine?
[4-(4-chloro-2-nitrophenoxy)pyrimidin-2-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 [4-(4-chloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80911648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).