(Z)-(2-chloropyrimidin-4-yl)oxyimino-oxido-pyrrolidin-1-ylazanium

C8H10ClN5O2 — CID 10800295

IUPAC(Z)-(2-chloropyrimidin-4-yl)oxyimino-oxido-pyrrolidin-1-ylazanium
SMILES[O-]/[N+](=N\Oc1ccnc(Cl)n1)N1CCCC1
InChIInChI=1S/C8H10ClN5O2/c9-8-10-4-3-7(11-8)16-12-14(15)13-5-1-2-6-13/h3-4H,1-2,5-6H2/b14-12-
InChIKeyREUMHIYFLRBBJM-OWBHPGMISA-N
MW243.65 g/mol
LogP1.40
Rot. Bonds3

About (Z)-(2-chloropyrimidin-4-yl)oxyimino-oxido-pyrrolidin-1-ylazanium

(Z)-(2-chloropyrimidin-4-yl)oxyimino-oxido-pyrrolidin-1-ylazanium (PubChem CID 10800295) has the molecular formula C8H10ClN5O2 and a molecular weight of 243.65 g/mol. Its IUPAC name is (Z)-(2-chloropyrimidin-4-yl)oxyimino-oxido-pyrrolidin-1-ylazanium.

Molecular Properties

Compound Name(Z)-(2-chloropyrimidin-4-yl)oxyimino-oxido-pyrrolidin-1-ylazanium
PubChem CID10800295
Molecular FormulaC8H10ClN5O2
Molecular Weight243.65 g/mol
Exact Mass243.05
IUPAC Name(Z)-(2-chloropyrimidin-4-yl)oxyimino-oxido-pyrrolidin-1-ylazanium
SMILES[O-]/[N+](=N\Oc1ccnc(Cl)n1)N1CCCC1
InChIInChI=1S/C8H10ClN5O2/c9-8-10-4-3-7(11-8)16-12-14(15)13-5-1-2-6-13/h3-4H,1-2,5-6H2/b14-12-
InChIKeyREUMHIYFLRBBJM-OWBHPGMISA-N
XLogP1.40
TPSA76.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-(2-chloropyrimidin-4-yl)oxyimino-oxido-pyrrolidin-1-ylazanium?
The IUPAC name of (Z)-(2-chloropyrimidin-4-yl)oxyimino-oxido-pyrrolidin-1-ylazanium (CID 10800295) is (Z)-(2-chloropyrimidin-4-yl)oxyimino-oxido-pyrrolidin-1-ylazanium.
What is the SMILES notation for (Z)-(2-chloropyrimidin-4-yl)oxyimino-oxido-pyrrolidin-1-ylazanium?
The canonical SMILES for (Z)-(2-chloropyrimidin-4-yl)oxyimino-oxido-pyrrolidin-1-ylazanium is [O-]/[N+](=N\Oc1ccnc(Cl)n1)N1CCCC1.
What is the InChIKey of (Z)-(2-chloropyrimidin-4-yl)oxyimino-oxido-pyrrolidin-1-ylazanium?
The InChIKey is REUMHIYFLRBBJM-OWBHPGMISA-N. The full InChI is InChI=1S/C8H10ClN5O2/c9-8-10-4-3-7(11-8)16-12-14(15)13-5-1-2-6-13/h3-4H,1-2,5-6H2/b14-12-.
What are the key properties of (Z)-(2-chloropyrimidin-4-yl)oxyimino-oxido-pyrrolidin-1-ylazanium?
(Z)-(2-chloropyrimidin-4-yl)oxyimino-oxido-pyrrolidin-1-ylazanium has a molecular weight of 243.65 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(2-chloropyrimidin-4-yl)oxyimino-oxido-pyrrolidin-1-ylazanium is sourced from PubChem (CID 10800295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).