2-chloropyridine;methanimidamide

C6H8ClN3 — CID 175495144

IUPAC2-chloropyridine;methanimidamide
SMILESClc1ccccn1.[H]/N=C/N
InChIInChI=1S/C5H4ClN.CH4N2/c6-5-3-1-2-4-7-5;2-1-3/h1-4H;1H,(H3,2,3)
InChIKeyHBCXUMASSDZHPO-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.29
Rot. Bonds

About 2-chloropyridine;methanimidamide

2-chloropyridine;methanimidamide (PubChem CID 175495144) has the molecular formula C6H8ClN3 and a molecular weight of 157.60 g/mol. Its IUPAC name is 2-chloropyridine;methanimidamide.

Molecular Properties

Compound Name2-chloropyridine;methanimidamide
PubChem CID175495144
Molecular FormulaC6H8ClN3
Molecular Weight157.60 g/mol
Exact Mass157.04
IUPAC Name2-chloropyridine;methanimidamide
SMILESClc1ccccn1.[H]/N=C/N
InChIInChI=1S/C5H4ClN.CH4N2/c6-5-3-1-2-4-7-5;2-1-3/h1-4H;1H,(H3,2,3)
InChIKeyHBCXUMASSDZHPO-UHFFFAOYSA-N
XLogP1.29
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Desnitro-imidacloprid
CID 10130527
2-Chloropyridine
CID 7977
Acetamiprid metabolite (IM-1-5)
CID 19967186
2-Chloro-3-pyridylamine
CID 80528
3-Chloropyridine
CID 12287
2-Chloro-5-trichloromethylpyridine
CID 50293
2,3-Dichloropyridine
CID 16988
2-Chloro-5-(trifluoromethyl)pyridine
CID 92342
4-Chloropyridine
CID 12288
4-Chloropyridine hydrochloride
CID 81852
Pyridinium chloride
CID 10176127
6-Chloro-N-methyl-3-pyridinemethanamine
CID 11094883

Frequently Asked Questions

What is the IUPAC name of 2-chloropyridine;methanimidamide?
The IUPAC name of 2-chloropyridine;methanimidamide (CID 175495144) is 2-chloropyridine;methanimidamide.
What is the SMILES notation for 2-chloropyridine;methanimidamide?
The canonical SMILES for 2-chloropyridine;methanimidamide is Clc1ccccn1.[H]/N=C/N.
What is the InChIKey of 2-chloropyridine;methanimidamide?
The InChIKey is HBCXUMASSDZHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN.CH4N2/c6-5-3-1-2-4-7-5;2-1-3/h1-4H;1H,(H3,2,3).
What are the key properties of 2-chloropyridine;methanimidamide?
2-chloropyridine;methanimidamide has a molecular weight of 157.60 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyridine;methanimidamide is sourced from PubChem (CID 175495144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).