5-cyanopyridine-3-carboximidamide;hydrochloride

C7H7ClN4 — CID 133058450

IUPAC5-cyanopyridine-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cncc(C#N)c1
InChIInChI=1S/C7H6N4.ClH/c8-2-5-1-6(7(9)10)4-11-3-5;/h1,3-4H,(H3,9,10);1H
InChIKeyLXIBSJYVZSBVDA-UHFFFAOYSA-N
MW182.61 g/mol
LogP0.66
Rot. Bonds1

About 5-cyanopyridine-3-carboximidamide;hydrochloride

5-cyanopyridine-3-carboximidamide;hydrochloride (PubChem CID 133058450) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is 5-cyanopyridine-3-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-cyanopyridine-3-carboximidamide;hydrochloride
PubChem CID133058450
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name5-cyanopyridine-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cncc(C#N)c1
InChIInChI=1S/C7H6N4.ClH/c8-2-5-1-6(7(9)10)4-11-3-5;/h1,3-4H,(H3,9,10);1H
InChIKeyLXIBSJYVZSBVDA-UHFFFAOYSA-N
XLogP0.66
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodopyridine-3-carboximidamide
CID 74892022
N'-amino-5-cyanopyridine-3-carboximidamide
CID 138108015
5-cyanopyridine-3-carboxylic acid
CID 22174782
3-cyanobenzenecarboximidamide;propan-2-ol;hydrochloride
CID 174976207
methyl 5-carbamimidoylpyridine-3-carboxylate;hydrochloride
CID 126838265
4-(3-cyanophenyl)benzenecarboximidamide
CID 6345365
ethane;ethyl 5-cyanopyridine-3-carboxylate
CID 145385789
(5-cyano-3-pyridinyl)urea
CID 159088018
5-chloropyridine-3-carbonitrile
CID 12645070
5-[5-(3-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide
CID 73058281
5-[3-(4-carbamimidoylphenyl)-1,2-oxazol-5-yl]pyridine-3-carboximidamide
CID 73058277
2-aminopyrimidine-5-carboximidamide
CID 45080078

Frequently Asked Questions

What is the IUPAC name of 5-cyanopyridine-3-carboximidamide;hydrochloride?
The IUPAC name of 5-cyanopyridine-3-carboximidamide;hydrochloride (CID 133058450) is 5-cyanopyridine-3-carboximidamide;hydrochloride.
What is the SMILES notation for 5-cyanopyridine-3-carboximidamide;hydrochloride?
The canonical SMILES for 5-cyanopyridine-3-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cncc(C#N)c1.
What is the InChIKey of 5-cyanopyridine-3-carboximidamide;hydrochloride?
The InChIKey is LXIBSJYVZSBVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4.ClH/c8-2-5-1-6(7(9)10)4-11-3-5;/h1,3-4H,(H3,9,10);1H.
What are the key properties of 5-cyanopyridine-3-carboximidamide;hydrochloride?
5-cyanopyridine-3-carboximidamide;hydrochloride has a molecular weight of 182.61 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyanopyridine-3-carboximidamide;hydrochloride is sourced from PubChem (CID 133058450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).