[5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine

C10H7Cl2FN4O — CID 80918493

IUPAC[5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Cl)c(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C10H7Cl2FN4O/c11-6-3-5(13)1-2-8(6)18-9-7(12)4-15-10(16-9)17-14/h1-4H,14H2,(H,15,16,17)
InChIKeyNJHTUTWSZDOVFV-UHFFFAOYSA-N
MW289.10 g/mol
LogP3.00
Rot. Bonds3

About [5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine

[5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80918493) has the molecular formula C10H7Cl2FN4O and a molecular weight of 289.10 g/mol. Its IUPAC name is [5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine
PubChem CID80918493
Molecular FormulaC10H7Cl2FN4O
Molecular Weight289.10 g/mol
Exact Mass288.00
IUPAC Name[5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Cl)c(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C10H7Cl2FN4O/c11-6-3-5(13)1-2-8(6)18-9-7(12)4-15-10(16-9)17-14/h1-4H,14H2,(H,15,16,17)
InChIKeyNJHTUTWSZDOVFV-UHFFFAOYSA-N
XLogP3.00
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80915153
[4-(2-tert-butyl-4-methylphenoxy)-5-chloropyrimidin-2-yl]hydrazine
CID 80909592
[5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine
CID 80912130
(5-chloro-4-methoxypyrimidin-2-yl)hydrazine
CID 80911079
[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80914939
[5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80911443
5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine
CID 80869450
5-chloro-4-(5-fluoro-2-nitrophenoxy)-N-methylpyrimidin-2-amine
CID 80875623
5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
CID 80877850
[5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine
CID 80913199
[6-(2-chloro-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80917339
(5-chloro-4-propan-2-yloxypyrimidin-2-yl)hydrazine
CID 80913433

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine (CID 80918493) is [5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine is NNc1ncc(Cl)c(Oc2ccc(F)cc2Cl)n1.
What is the InChIKey of [5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is NJHTUTWSZDOVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN4O/c11-6-3-5(13)1-2-8(6)18-9-7(12)4-15-10(16-9)17-14/h1-4H,14H2,(H,15,16,17).
What are the key properties of [5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine?
[5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 289.10 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80918493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).