6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride

C7H9Cl2N3 — CID 53484967

IUPAC6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc(C)cc(Cl)n1
InChIInChI=1S/C7H8ClN3.ClH/c1-4-2-5(7(9)10)11-6(8)3-4;/h2-3H,1H3,(H3,9,10);1H
InChIKeyCSFKTSZNEBZLOF-UHFFFAOYSA-N
MW206.08 g/mol
LogP1.75
Rot. Bonds1

About 6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride

6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride (PubChem CID 53484967) has the molecular formula C7H9Cl2N3 and a molecular weight of 206.08 g/mol. Its IUPAC name is 6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride
PubChem CID53484967
Molecular FormulaC7H9Cl2N3
Molecular Weight206.08 g/mol
Exact Mass205.02
IUPAC Name6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc(C)cc(Cl)n1
InChIInChI=1S/C7H8ClN3.ClH/c1-4-2-5(7(9)10)11-6(8)3-4;/h2-3H,1H3,(H3,9,10);1H
InChIKeyCSFKTSZNEBZLOF-UHFFFAOYSA-N
XLogP1.75
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 51.75
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride?
The IUPAC name of 6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride (CID 53484967) is 6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride.
What is the SMILES notation for 6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride?
The canonical SMILES for 6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cc(C)cc(Cl)n1.
What is the InChIKey of 6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride?
The InChIKey is CSFKTSZNEBZLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3.ClH/c1-4-2-5(7(9)10)11-6(8)3-4;/h2-3H,1H3,(H3,9,10);1H.
What are the key properties of 6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride?
6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride has a molecular weight of 206.08 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride is sourced from PubChem (CID 53484967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).