1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine

C10H11ClIN3 — CID 107638204

IUPAC1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine
SMILESN/C(=N\C1CC1)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H11ClIN3/c11-6-1-4-9(8(12)5-6)15-10(13)14-7-2-3-7/h1,4-5,7H,2-3H2,(H3,13,14,15)
InChIKeyCYRHABQDCJSEIP-UHFFFAOYSA-N
MW335.58 g/mol
LogP2.83
Rot. Bonds2

About 1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine

1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine (PubChem CID 107638204) has the molecular formula C10H11ClIN3 and a molecular weight of 335.58 g/mol. Its IUPAC name is 1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine.

Molecular Properties

Compound Name1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine
PubChem CID107638204
Molecular FormulaC10H11ClIN3
Molecular Weight335.58 g/mol
Exact Mass334.97
IUPAC Name1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine
SMILESN/C(=N\C1CC1)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H11ClIN3/c11-6-1-4-9(8(12)5-6)15-10(13)14-7-2-3-7/h1,4-5,7H,2-3H2,(H3,13,14,15)
InChIKeyCYRHABQDCJSEIP-UHFFFAOYSA-N
XLogP2.83
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 52.83
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine
CID 107638202
1-(2-chlorophenyl)-2-cyclopropylguanidine
CID 62378718
1-(5-bromo-2-chlorophenyl)-2-cyclopropylguanidine
CID 62909818
N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide
CID 107640629
2-cyclopropyl-1-(2,4-dimethylphenyl)guanidine
CID 62379078
N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103766784
4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107629484
4-chloro-N-cyclopropyl-2-iodoaniline
CID 107632159
1-amino-3-(4-chloro-2-iodophenyl)urea
CID 107629399
N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide
CID 103766813
N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide
CID 103766842
2-bromo-N-(4-chloro-2-iodophenyl)acetamide
CID 107624932

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine?
The IUPAC name of 1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine (CID 107638204) is 1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine.
What is the SMILES notation for 1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine?
The canonical SMILES for 1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine is N/C(=N\C1CC1)Nc1ccc(Cl)cc1I.
What is the InChIKey of 1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine?
The InChIKey is CYRHABQDCJSEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClIN3/c11-6-1-4-9(8(12)5-6)15-10(13)14-7-2-3-7/h1,4-5,7H,2-3H2,(H3,13,14,15).
What are the key properties of 1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine?
1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine has a molecular weight of 335.58 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-iodophenyl)-2-cyclopropylguanidine is sourced from PubChem (CID 107638204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).