(2Z)-5-(difluoromethoxy)-N-hydroxypyrimidine-2-carboximidoyl chloride

C6H4ClF2N3O2 — CID 136959628

IUPAC(2Z)-5-(difluoromethoxy)-N-hydroxypyrimidine-2-carboximidoyl chloride
SMILESO/N=C(\Cl)c1ncc(OC(F)F)cn1
InChIInChI=1S/C6H4ClF2N3O2/c7-4(12-13)5-10-1-3(2-11-5)14-6(8)9/h1-2,6,13H/b12-4-
InChIKeyTYYHQVPOEIVMKP-QCDXTXTGSA-N
MW223.57 g/mol
LogP1.45
Rot. Bonds3

About (2Z)-5-(difluoromethoxy)-N-hydroxypyrimidine-2-carboximidoyl chloride

(2Z)-5-(difluoromethoxy)-N-hydroxypyrimidine-2-carboximidoyl chloride (PubChem CID 136959628) has the molecular formula C6H4ClF2N3O2 and a molecular weight of 223.57 g/mol. Its IUPAC name is (2Z)-5-(difluoromethoxy)-N-hydroxypyrimidine-2-carboximidoyl chloride.

Molecular Properties

Compound Name(2Z)-5-(difluoromethoxy)-N-hydroxypyrimidine-2-carboximidoyl chloride
PubChem CID136959628
Molecular FormulaC6H4ClF2N3O2
Molecular Weight223.57 g/mol
Exact Mass223.00
IUPAC Name(2Z)-5-(difluoromethoxy)-N-hydroxypyrimidine-2-carboximidoyl chloride
SMILESO/N=C(\Cl)c1ncc(OC(F)F)cn1
InChIInChI=1S/C6H4ClF2N3O2/c7-4(12-13)5-10-1-3(2-11-5)14-6(8)9/h1-2,6,13H/b12-4-
InChIKeyTYYHQVPOEIVMKP-QCDXTXTGSA-N
XLogP1.45
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.57
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-(difluoromethoxy)-N-hydroxypyrimidine-2-carboximidoyl chloride?
The IUPAC name of (2Z)-5-(difluoromethoxy)-N-hydroxypyrimidine-2-carboximidoyl chloride (CID 136959628) is (2Z)-5-(difluoromethoxy)-N-hydroxypyrimidine-2-carboximidoyl chloride.
What is the SMILES notation for (2Z)-5-(difluoromethoxy)-N-hydroxypyrimidine-2-carboximidoyl chloride?
The canonical SMILES for (2Z)-5-(difluoromethoxy)-N-hydroxypyrimidine-2-carboximidoyl chloride is O/N=C(\Cl)c1ncc(OC(F)F)cn1.
What is the InChIKey of (2Z)-5-(difluoromethoxy)-N-hydroxypyrimidine-2-carboximidoyl chloride?
The InChIKey is TYYHQVPOEIVMKP-QCDXTXTGSA-N. The full InChI is InChI=1S/C6H4ClF2N3O2/c7-4(12-13)5-10-1-3(2-11-5)14-6(8)9/h1-2,6,13H/b12-4-.
What are the key properties of (2Z)-5-(difluoromethoxy)-N-hydroxypyrimidine-2-carboximidoyl chloride?
(2Z)-5-(difluoromethoxy)-N-hydroxypyrimidine-2-carboximidoyl chloride has a molecular weight of 223.57 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-(difluoromethoxy)-N-hydroxypyrimidine-2-carboximidoyl chloride is sourced from PubChem (CID 136959628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).