(3E)-N-hydroxypyridazine-3-carboximidoyl chloride

C5H4ClN3O — CID 143103846

IUPAC(3E)-N-hydroxypyridazine-3-carboximidoyl chloride
SMILESO/N=C(/Cl)c1cccnn1
InChIInChI=1S/C5H4ClN3O/c6-5(9-10)4-2-1-3-7-8-4/h1-3,10H/b9-5+
InChIKeyFXKUKMDWHYHCCB-WEVVVXLNSA-N
MW157.56 g/mol
LogP0.85
Rot. Bonds1

About (3E)-N-hydroxypyridazine-3-carboximidoyl chloride

(3E)-N-hydroxypyridazine-3-carboximidoyl chloride (PubChem CID 143103846) has the molecular formula C5H4ClN3O and a molecular weight of 157.56 g/mol. Its IUPAC name is (3E)-N-hydroxypyridazine-3-carboximidoyl chloride.

Molecular Properties

Compound Name(3E)-N-hydroxypyridazine-3-carboximidoyl chloride
PubChem CID143103846
Molecular FormulaC5H4ClN3O
Molecular Weight157.56 g/mol
Exact Mass157.00
IUPAC Name(3E)-N-hydroxypyridazine-3-carboximidoyl chloride
SMILESO/N=C(/Cl)c1cccnn1
InChIInChI=1S/C5H4ClN3O/c6-5(9-10)4-2-1-3-7-8-4/h1-3,10H/b9-5+
InChIKeyFXKUKMDWHYHCCB-WEVVVXLNSA-N
XLogP0.85
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.56
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-(1-pyridazin-3-ylethylidene)hydroxylamine
CID 137185184
3-[(E)-but-2-en-2-yl]pyridazine
CID 144852944
acetic acid;pyridazine-3-carboxylic acid
CID 162329499
N-phenylpyridazine-3-carboxamide
CID 23633015
ethyl (2E)-2-hydroxyimino-2-pyridazin-3-ylacetate
CID 140668616
(2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone
CID 15049840
pyridazine-3-carboxamide;pyridine
CID 172726513
N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 110851460
(NE)-N-[pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 136759484
(2E)-N,5-dihydroxypyridine-2-carboximidoyl chloride
CID 137079336
pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855018
N-(3-methylphenyl)pyridazine-3-carboxamide
CID 23633019

Frequently Asked Questions

What is the IUPAC name of (3E)-N-hydroxypyridazine-3-carboximidoyl chloride?
The IUPAC name of (3E)-N-hydroxypyridazine-3-carboximidoyl chloride (CID 143103846) is (3E)-N-hydroxypyridazine-3-carboximidoyl chloride.
What is the SMILES notation for (3E)-N-hydroxypyridazine-3-carboximidoyl chloride?
The canonical SMILES for (3E)-N-hydroxypyridazine-3-carboximidoyl chloride is O/N=C(/Cl)c1cccnn1.
What is the InChIKey of (3E)-N-hydroxypyridazine-3-carboximidoyl chloride?
The InChIKey is FXKUKMDWHYHCCB-WEVVVXLNSA-N. The full InChI is InChI=1S/C5H4ClN3O/c6-5(9-10)4-2-1-3-7-8-4/h1-3,10H/b9-5+.
What are the key properties of (3E)-N-hydroxypyridazine-3-carboximidoyl chloride?
(3E)-N-hydroxypyridazine-3-carboximidoyl chloride has a molecular weight of 157.56 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-hydroxypyridazine-3-carboximidoyl chloride is sourced from PubChem (CID 143103846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).