2-[(2-chloro-2H-pyridin-3-ylidene)amino]guanidine

C6H8ClN5 — CID 149148946

IUPAC2-[(2-chloro-2H-pyridin-3-ylidene)amino]guanidine
SMILESNC(N)=NN=C1C=CC=NC1Cl
InChIInChI=1S/C6H8ClN5/c7-5-4(2-1-3-10-5)11-12-6(8)9/h1-3,5H,(H4,8,9,12)
InChIKeyDKUKXOSTGVRFAA-UHFFFAOYSA-N
MW185.62 g/mol
LogP-0.18
Rot. Bonds1

About 2-[(2-chloro-2H-pyridin-3-ylidene)amino]guanidine

2-[(2-chloro-2H-pyridin-3-ylidene)amino]guanidine (PubChem CID 149148946) has the molecular formula C6H8ClN5 and a molecular weight of 185.62 g/mol. Its IUPAC name is 2-[(2-chloro-2H-pyridin-3-ylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(2-chloro-2H-pyridin-3-ylidene)amino]guanidine
PubChem CID149148946
Molecular FormulaC6H8ClN5
Molecular Weight185.62 g/mol
Exact Mass185.05
IUPAC Name2-[(2-chloro-2H-pyridin-3-ylidene)amino]guanidine
SMILESNC(N)=NN=C1C=CC=NC1Cl
InChIInChI=1S/C6H8ClN5/c7-5-4(2-1-3-10-5)11-12-6(8)9/h1-3,5H,(H4,8,9,12)
InChIKeyDKUKXOSTGVRFAA-UHFFFAOYSA-N
XLogP-0.18
TPSA89.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.62
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-2H-pyridin-3-imine
CID 151984648

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-2H-pyridin-3-ylidene)amino]guanidine?
The IUPAC name of 2-[(2-chloro-2H-pyridin-3-ylidene)amino]guanidine (CID 149148946) is 2-[(2-chloro-2H-pyridin-3-ylidene)amino]guanidine.
What is the SMILES notation for 2-[(2-chloro-2H-pyridin-3-ylidene)amino]guanidine?
The canonical SMILES for 2-[(2-chloro-2H-pyridin-3-ylidene)amino]guanidine is NC(N)=NN=C1C=CC=NC1Cl.
What is the InChIKey of 2-[(2-chloro-2H-pyridin-3-ylidene)amino]guanidine?
The InChIKey is DKUKXOSTGVRFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN5/c7-5-4(2-1-3-10-5)11-12-6(8)9/h1-3,5H,(H4,8,9,12).
What are the key properties of 2-[(2-chloro-2H-pyridin-3-ylidene)amino]guanidine?
2-[(2-chloro-2H-pyridin-3-ylidene)amino]guanidine has a molecular weight of 185.62 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-2H-pyridin-3-ylidene)amino]guanidine is sourced from PubChem (CID 149148946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).