[6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine

C11H10FN5O3 — CID 114418608

IUPAC[6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
SMILESCc1cc(Oc2cc(NN)ncn2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H10FN5O3/c1-6-2-9(7(12)3-8(6)17(18)19)20-11-4-10(16-13)14-5-15-11/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyOWBRAHOAVHKVDD-UHFFFAOYSA-N
MW279.23 g/mol
LogP1.91
Rot. Bonds4

About [6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine

[6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine (PubChem CID 114418608) has the molecular formula C11H10FN5O3 and a molecular weight of 279.23 g/mol. Its IUPAC name is [6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
PubChem CID114418608
Molecular FormulaC11H10FN5O3
Molecular Weight279.23 g/mol
Exact Mass279.08
IUPAC Name[6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
SMILESCc1cc(Oc2cc(NN)ncn2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H10FN5O3/c1-6-2-9(7(12)3-8(6)17(18)19)20-11-4-10(16-13)14-5-15-11/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyOWBRAHOAVHKVDD-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

[6-(5-fluoro-2-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920512
4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine
CID 114418383
2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine
CID 112754869
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 114417003
4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine
CID 114416597
[6-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920687
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 114416376
6-(4-bromo-5-fluoro-2-nitrophenoxy)-N-methylpyrimidin-4-amine
CID 103484542
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid
CID 114416377
2-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidine-5-carbaldehyde
CID 114417001
6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 114418468
[5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 114418086

Frequently Asked Questions

What is the IUPAC name of [6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine (CID 114418608) is [6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine is Cc1cc(Oc2cc(NN)ncn2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of [6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is OWBRAHOAVHKVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O3/c1-6-2-9(7(12)3-8(6)17(18)19)20-11-4-10(16-13)14-5-15-11/h2-5H,13H2,1H3,(H,14,15,16).
What are the key properties of [6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine?
[6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-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 [6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 114418608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).