2-chlorobenzenecarboximidamide

C7H7ClN2 — CID 2740918

IUPAC2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Cl
InChIInChI=1S/C7H7ClN2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H3,9,10)
InChIKeyMXVMRHIWTSFDPU-UHFFFAOYSA-N
MW154.60 g/mol
LogP1.62
Rot. Bonds1

About 2-chlorobenzenecarboximidamide

2-chlorobenzenecarboximidamide (PubChem CID 2740918) has the molecular formula C7H7ClN2 and a molecular weight of 154.60 g/mol. Its IUPAC name is 2-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name2-chlorobenzenecarboximidamide
PubChem CID2740918
Molecular FormulaC7H7ClN2
Molecular Weight154.60 g/mol
Exact Mass154.03
IUPAC Name2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Cl
InChIInChI=1S/C7H7ClN2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H3,9,10)
InChIKeyMXVMRHIWTSFDPU-UHFFFAOYSA-N
XLogP1.62
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 51.62
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 2-chlorobenzenecarboximidamide?
The IUPAC name of 2-chlorobenzenecarboximidamide (CID 2740918) is 2-chlorobenzenecarboximidamide.
What is the SMILES notation for 2-chlorobenzenecarboximidamide?
The canonical SMILES for 2-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccccc1Cl.
What is the InChIKey of 2-chlorobenzenecarboximidamide?
The InChIKey is MXVMRHIWTSFDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H3,9,10).
What are the key properties of 2-chlorobenzenecarboximidamide?
2-chlorobenzenecarboximidamide has a molecular weight of 154.60 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzenecarboximidamide is sourced from PubChem (CID 2740918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).