2-chloro-6-cyclopentyl-3-isocyanopyridine

C11H11ClN2 — CID 88579059

IUPAC2-chloro-6-cyclopentyl-3-isocyanopyridine
SMILES[C-]#[N+]c1ccc(C2CCCC2)nc1Cl
InChIInChI=1S/C11H11ClN2/c1-13-10-7-6-9(14-11(10)12)8-4-2-3-5-8/h6-8H,2-5H2
InChIKeyZEEVLTZSJWKSCG-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.94
Rot. Bonds1

About 2-chloro-6-cyclopentyl-3-isocyanopyridine

2-chloro-6-cyclopentyl-3-isocyanopyridine (PubChem CID 88579059) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 2-chloro-6-cyclopentyl-3-isocyanopyridine.

Molecular Properties

Compound Name2-chloro-6-cyclopentyl-3-isocyanopyridine
PubChem CID88579059
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name2-chloro-6-cyclopentyl-3-isocyanopyridine
SMILES[C-]#[N+]c1ccc(C2CCCC2)nc1Cl
InChIInChI=1S/C11H11ClN2/c1-13-10-7-6-9(14-11(10)12)8-4-2-3-5-8/h6-8H,2-5H2
InChIKeyZEEVLTZSJWKSCG-UHFFFAOYSA-N
XLogP3.94
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclopentyl-3-isocyanopyridine?
The IUPAC name of 2-chloro-6-cyclopentyl-3-isocyanopyridine (CID 88579059) is 2-chloro-6-cyclopentyl-3-isocyanopyridine.
What is the SMILES notation for 2-chloro-6-cyclopentyl-3-isocyanopyridine?
The canonical SMILES for 2-chloro-6-cyclopentyl-3-isocyanopyridine is [C-]#[N+]c1ccc(C2CCCC2)nc1Cl.
What is the InChIKey of 2-chloro-6-cyclopentyl-3-isocyanopyridine?
The InChIKey is ZEEVLTZSJWKSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-13-10-7-6-9(14-11(10)12)8-4-2-3-5-8/h6-8H,2-5H2.
What are the key properties of 2-chloro-6-cyclopentyl-3-isocyanopyridine?
2-chloro-6-cyclopentyl-3-isocyanopyridine has a molecular weight of 206.68 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclopentyl-3-isocyanopyridine is sourced from PubChem (CID 88579059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).