3-chlorobenzenecarboximidamide;hydrochloride

C7H8Cl2N2 — CID 13165334

IUPAC3-chlorobenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(Cl)c1
InChIInChI=1S/C7H7ClN2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKeyKWDHABCUIIRLJP-UHFFFAOYSA-N
MW191.06 g/mol
LogP2.05
Rot. Bonds1

About 3-chlorobenzenecarboximidamide;hydrochloride

3-chlorobenzenecarboximidamide;hydrochloride (PubChem CID 13165334) has the molecular formula C7H8Cl2N2 and a molecular weight of 191.06 g/mol. Its IUPAC name is 3-chlorobenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name3-chlorobenzenecarboximidamide;hydrochloride
PubChem CID13165334
Molecular FormulaC7H8Cl2N2
Molecular Weight191.06 g/mol
Exact Mass190.01
IUPAC Name3-chlorobenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(Cl)c1
InChIInChI=1S/C7H7ClN2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKeyKWDHABCUIIRLJP-UHFFFAOYSA-N
XLogP2.05
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 3-chlorobenzenecarboximidamide;hydrochloride?
The IUPAC name of 3-chlorobenzenecarboximidamide;hydrochloride (CID 13165334) is 3-chlorobenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 3-chlorobenzenecarboximidamide;hydrochloride?
The canonical SMILES for 3-chlorobenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cccc(Cl)c1.
What is the InChIKey of 3-chlorobenzenecarboximidamide;hydrochloride?
The InChIKey is KWDHABCUIIRLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,(H3,9,10);1H.
What are the key properties of 3-chlorobenzenecarboximidamide;hydrochloride?
3-chlorobenzenecarboximidamide;hydrochloride has a molecular weight of 191.06 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 13165334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).