N-ethynylpyridine-2-carboximidoyl chloride

C8H5ClN2 — CID 166806660

IUPACN-ethynylpyridine-2-carboximidoyl chloride
SMILESC#C/N=C(\Cl)c1ccccn1
InChIInChI=1S/C8H5ClN2/c1-2-10-8(9)7-5-3-4-6-11-7/h1,3-6H/b10-8-
InChIKeyQQYJKKGSQDWBSG-NTMALXAHSA-N
MW164.59 g/mol
LogP1.66
Rot. Bonds1

About N-ethynylpyridine-2-carboximidoyl chloride

N-ethynylpyridine-2-carboximidoyl chloride (PubChem CID 166806660) has the molecular formula C8H5ClN2 and a molecular weight of 164.59 g/mol. Its IUPAC name is N-ethynylpyridine-2-carboximidoyl chloride.

Molecular Properties

Compound NameN-ethynylpyridine-2-carboximidoyl chloride
PubChem CID166806660
Molecular FormulaC8H5ClN2
Molecular Weight164.59 g/mol
Exact Mass164.01
IUPAC NameN-ethynylpyridine-2-carboximidoyl chloride
SMILESC#C/N=C(\Cl)c1ccccn1
InChIInChI=1S/C8H5ClN2/c1-2-10-8(9)7-5-3-4-6-11-7/h1,3-6H/b10-8-
InChIKeyQQYJKKGSQDWBSG-NTMALXAHSA-N
XLogP1.66
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethynylpyridine-2-carboximidoyl chloride?
The IUPAC name of N-ethynylpyridine-2-carboximidoyl chloride (CID 166806660) is N-ethynylpyridine-2-carboximidoyl chloride.
What is the SMILES notation for N-ethynylpyridine-2-carboximidoyl chloride?
The canonical SMILES for N-ethynylpyridine-2-carboximidoyl chloride is C#C/N=C(\Cl)c1ccccn1.
What is the InChIKey of N-ethynylpyridine-2-carboximidoyl chloride?
The InChIKey is QQYJKKGSQDWBSG-NTMALXAHSA-N. The full InChI is InChI=1S/C8H5ClN2/c1-2-10-8(9)7-5-3-4-6-11-7/h1,3-6H/b10-8-.
What are the key properties of N-ethynylpyridine-2-carboximidoyl chloride?
N-ethynylpyridine-2-carboximidoyl chloride has a molecular weight of 164.59 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethynylpyridine-2-carboximidoyl chloride is sourced from PubChem (CID 166806660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).