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

C11H10FN5O3 — CID 80921201

IUPAC[4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
SMILESCc1cnc(NN)nc1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H10FN5O3/c1-6-5-14-11(16-13)15-10(6)20-9-3-2-7(17(18)19)4-8(9)12/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyPETXOKYEPPHYIL-UHFFFAOYSA-N
MW279.23 g/mol
LogP1.91
Rot. Bonds4

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

[4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine (PubChem CID 80921201) has the molecular formula C11H10FN5O3 and a molecular weight of 279.23 g/mol. Its IUPAC name is [4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
PubChem CID80921201
Molecular FormulaC11H10FN5O3
Molecular Weight279.23 g/mol
Exact Mass279.08
IUPAC Name[4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
SMILESCc1cnc(NN)nc1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H10FN5O3/c1-6-5-14-11(16-13)15-10(6)20-9-3-2-7(17(18)19)4-8(9)12/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyPETXOKYEPPHYIL-UHFFFAOYSA-N
XLogP1.91
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 51.91
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

N-ethyl-5-fluoro-4-(2-fluoro-4-nitrophenoxy)pyrimidin-2-amine
CID 80878989
[4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80920125
[4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80915153
[5-fluoro-4-(2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920840
[4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 83237844
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine
CID 63734189
4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine
CID 143321178
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662868
4-(2-bromo-5-nitrophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 103013829
4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
CID 134392084
[4-(2-ethylphenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80917094

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine (CID 80921201) is [4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine is Cc1cnc(NN)nc1Oc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of [4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine?
The InChIKey is PETXOKYEPPHYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O3/c1-6-5-14-11(16-13)15-10(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 [4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine?
[4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine has a molecular weight of 279.23 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80921201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).