[4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine

C10H9ClN4O — CID 80916101

IUPAC[4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine
SMILESNNc1nccc(Oc2cccc(Cl)c2)n1
InChIInChI=1S/C10H9ClN4O/c11-7-2-1-3-8(6-7)16-9-4-5-13-10(14-9)15-12/h1-6H,12H2,(H,13,14,15)
InChIKeyBCDWEHZFCBVKSB-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.21
Rot. Bonds3

About [4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine

[4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80916101) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is [4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine
PubChem CID80916101
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name[4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine
SMILESNNc1nccc(Oc2cccc(Cl)c2)n1
InChIInChI=1S/C10H9ClN4O/c11-7-2-1-3-8(6-7)16-9-4-5-13-10(14-9)15-12/h1-6H,12H2,(H,13,14,15)
InChIKeyBCDWEHZFCBVKSB-UHFFFAOYSA-N
XLogP2.21
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.21
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-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567750
[4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine
CID 80922000
[4-(4-chloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80911648
[4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920432
6-(3-chlorophenoxy)pyrimidin-4-amine
CID 80869440
2-chloro-4-(3-fluorophenoxy)pyrimidine
CID 53486075
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62322346
6-(2-hydrazinylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 80917841
[4-(2,4-difluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80917292
[4-(2,4-dibromophenoxy)pyrimidin-2-yl]hydrazine
CID 80922224
4-(3-chlorophenoxy)-N-[1-(2H-indazol-3-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 155924775
[4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
CID 80915964

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine (CID 80916101) is [4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine is NNc1nccc(Oc2cccc(Cl)c2)n1.
What is the InChIKey of [4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is BCDWEHZFCBVKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-7-2-1-3-8(6-7)16-9-4-5-13-10(14-9)15-12/h1-6H,12H2,(H,13,14,15).
What are the key properties of [4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine?
[4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 236.66 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80916101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).