azane;2-chloropyridine

C5H7ClN2 — CID 87126107

IUPACazane;2-chloropyridine
SMILESClc1ccccn1.N
InChIInChI=1S/C5H4ClN.H3N/c6-5-3-1-2-4-7-5;/h1-4H;1H3
InChIKeyIPMFMYLJPCZNAG-UHFFFAOYSA-N
MW130.58 g/mol
LogP1.90
Rot. Bonds

About azane;2-chloropyridine

azane;2-chloropyridine (PubChem CID 87126107) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is azane;2-chloropyridine.

Molecular Properties

Compound Nameazane;2-chloropyridine
PubChem CID87126107
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Nameazane;2-chloropyridine
SMILESClc1ccccn1.N
InChIInChI=1S/C5H4ClN.H3N/c6-5-3-1-2-4-7-5;/h1-4H;1H3
InChIKeyIPMFMYLJPCZNAG-UHFFFAOYSA-N
XLogP1.90
TPSA47.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;2-chloropyridine?
The IUPAC name of azane;2-chloropyridine (CID 87126107) is azane;2-chloropyridine.
What is the SMILES notation for azane;2-chloropyridine?
The canonical SMILES for azane;2-chloropyridine is Clc1ccccn1.N.
What is the InChIKey of azane;2-chloropyridine?
The InChIKey is IPMFMYLJPCZNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN.H3N/c6-5-3-1-2-4-7-5;/h1-4H;1H3.
What are the key properties of azane;2-chloropyridine?
azane;2-chloropyridine has a molecular weight of 130.58 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-chloropyridine is sourced from PubChem (CID 87126107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).