azane;chlorobenzene

C6H8ClN — CID 20560159

IUPACazane;chlorobenzene
SMILESClc1ccccc1.N
InChIInChI=1S/C6H5Cl.H3N/c7-6-4-2-1-3-5-6;/h1-5H;1H3
InChIKeyFXICHSQUUNYSCS-UHFFFAOYSA-N
MW129.59 g/mol
LogP2.50
Rot. Bonds

About azane;chlorobenzene

azane;chlorobenzene (PubChem CID 20560159) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is azane;chlorobenzene.

Molecular Properties

Compound Nameazane;chlorobenzene
PubChem CID20560159
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC Nameazane;chlorobenzene
SMILESClc1ccccc1.N
InChIInChI=1S/C6H5Cl.H3N/c7-6-4-2-1-3-5-6;/h1-5H;1H3
InChIKeyFXICHSQUUNYSCS-UHFFFAOYSA-N
XLogP2.50
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azane;chlorobenzene?
The IUPAC name of azane;chlorobenzene (CID 20560159) is azane;chlorobenzene.
What is the SMILES notation for azane;chlorobenzene?
The canonical SMILES for azane;chlorobenzene is Clc1ccccc1.N.
What is the InChIKey of azane;chlorobenzene?
The InChIKey is FXICHSQUUNYSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.H3N/c7-6-4-2-1-3-5-6;/h1-5H;1H3.
What are the key properties of azane;chlorobenzene?
azane;chlorobenzene has a molecular weight of 129.59 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;chlorobenzene is sourced from PubChem (CID 20560159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).