(3Z)-5-chloro-N-hydroxypyridine-3-carboximidoyl chloride

C6H4Cl2N2O — CID 87664008

IUPAC(3Z)-5-chloro-N-hydroxypyridine-3-carboximidoyl chloride
SMILESO/N=C(\Cl)c1cncc(Cl)c1
InChIInChI=1S/C6H4Cl2N2O/c7-5-1-4(2-9-3-5)6(8)10-11/h1-3,11H/b10-6-
InChIKeyNIHQUBNPJQTLKH-POHAHGRESA-N
MW191.02 g/mol
LogP2.11
Rot. Bonds1

About (3Z)-5-chloro-N-hydroxypyridine-3-carboximidoyl chloride

(3Z)-5-chloro-N-hydroxypyridine-3-carboximidoyl chloride (PubChem CID 87664008) has the molecular formula C6H4Cl2N2O and a molecular weight of 191.02 g/mol. Its IUPAC name is (3Z)-5-chloro-N-hydroxypyridine-3-carboximidoyl chloride.

Molecular Properties

Compound Name(3Z)-5-chloro-N-hydroxypyridine-3-carboximidoyl chloride
PubChem CID87664008
Molecular FormulaC6H4Cl2N2O
Molecular Weight191.02 g/mol
Exact Mass189.97
IUPAC Name(3Z)-5-chloro-N-hydroxypyridine-3-carboximidoyl chloride
SMILESO/N=C(\Cl)c1cncc(Cl)c1
InChIInChI=1S/C6H4Cl2N2O/c7-5-1-4(2-9-3-5)6(8)10-11/h1-3,11H/b10-6-
InChIKeyNIHQUBNPJQTLKH-POHAHGRESA-N
XLogP2.11
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.02
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3Z)-5-chloro-N-hydroxypyridine-3-carboximidoyl chloride?
The IUPAC name of (3Z)-5-chloro-N-hydroxypyridine-3-carboximidoyl chloride (CID 87664008) is (3Z)-5-chloro-N-hydroxypyridine-3-carboximidoyl chloride.
What is the SMILES notation for (3Z)-5-chloro-N-hydroxypyridine-3-carboximidoyl chloride?
The canonical SMILES for (3Z)-5-chloro-N-hydroxypyridine-3-carboximidoyl chloride is O/N=C(\Cl)c1cncc(Cl)c1.
What is the InChIKey of (3Z)-5-chloro-N-hydroxypyridine-3-carboximidoyl chloride?
The InChIKey is NIHQUBNPJQTLKH-POHAHGRESA-N. The full InChI is InChI=1S/C6H4Cl2N2O/c7-5-1-4(2-9-3-5)6(8)10-11/h1-3,11H/b10-6-.
What are the key properties of (3Z)-5-chloro-N-hydroxypyridine-3-carboximidoyl chloride?
(3Z)-5-chloro-N-hydroxypyridine-3-carboximidoyl chloride has a molecular weight of 191.02 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-N-hydroxypyridine-3-carboximidoyl chloride is sourced from PubChem (CID 87664008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).