5-(2,2-dichlorocyclopropyl)-2-methylpyridine

C9H9Cl2N — CID 58520620

IUPAC5-(2,2-dichlorocyclopropyl)-2-methylpyridine
SMILESCc1ccc(C2CC2(Cl)Cl)cn1
InChIInChI=1S/C9H9Cl2N/c1-6-2-3-7(5-12-6)8-4-9(8,10)11/h2-3,5,8H,4H2,1H3
InChIKeyHSIFAHPBRPNERI-UHFFFAOYSA-N
MW202.08 g/mol
LogP3.05
Rot. Bonds1

About 5-(2,2-dichlorocyclopropyl)-2-methylpyridine

5-(2,2-dichlorocyclopropyl)-2-methylpyridine (PubChem CID 58520620) has the molecular formula C9H9Cl2N and a molecular weight of 202.08 g/mol. Its IUPAC name is 5-(2,2-dichlorocyclopropyl)-2-methylpyridine.

Molecular Properties

Compound Name5-(2,2-dichlorocyclopropyl)-2-methylpyridine
PubChem CID58520620
Molecular FormulaC9H9Cl2N
Molecular Weight202.08 g/mol
Exact Mass201.01
IUPAC Name5-(2,2-dichlorocyclopropyl)-2-methylpyridine
SMILESCc1ccc(C2CC2(Cl)Cl)cn1
InChIInChI=1S/C9H9Cl2N/c1-6-2-3-7(5-12-6)8-4-9(8,10)11/h2-3,5,8H,4H2,1H3
InChIKeyHSIFAHPBRPNERI-UHFFFAOYSA-N
XLogP3.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.08
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dichlorocyclopropyl)-2-methylpyridine?
The IUPAC name of 5-(2,2-dichlorocyclopropyl)-2-methylpyridine (CID 58520620) is 5-(2,2-dichlorocyclopropyl)-2-methylpyridine.
What is the SMILES notation for 5-(2,2-dichlorocyclopropyl)-2-methylpyridine?
The canonical SMILES for 5-(2,2-dichlorocyclopropyl)-2-methylpyridine is Cc1ccc(C2CC2(Cl)Cl)cn1.
What is the InChIKey of 5-(2,2-dichlorocyclopropyl)-2-methylpyridine?
The InChIKey is HSIFAHPBRPNERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N/c1-6-2-3-7(5-12-6)8-4-9(8,10)11/h2-3,5,8H,4H2,1H3.
What are the key properties of 5-(2,2-dichlorocyclopropyl)-2-methylpyridine?
5-(2,2-dichlorocyclopropyl)-2-methylpyridine has a molecular weight of 202.08 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dichlorocyclopropyl)-2-methylpyridine is sourced from PubChem (CID 58520620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).