5-chloro-1,2,4a,10b-tetrahydro-1,10-phenanthroline

C12H11ClN2 — CID 22958184

IUPAC5-chloro-1,2,4a,10b-tetrahydro-1,10-phenanthroline
SMILESClC1=Cc2cccnc2C2NCC=CC12
InChIInChI=1S/C12H11ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-5,7,9,12,15H,6H2
InChIKeyVOUVICGAKOPHMT-UHFFFAOYSA-N
MW218.69 g/mol
LogP2.49
Rot. Bonds

About 5-chloro-1,2,4a,10b-tetrahydro-1,10-phenanthroline

5-chloro-1,2,4a,10b-tetrahydro-1,10-phenanthroline (PubChem CID 22958184) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 5-chloro-1,2,4a,10b-tetrahydro-1,10-phenanthroline.

Molecular Properties

Compound Name5-chloro-1,2,4a,10b-tetrahydro-1,10-phenanthroline
PubChem CID22958184
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name5-chloro-1,2,4a,10b-tetrahydro-1,10-phenanthroline
SMILESClC1=Cc2cccnc2C2NCC=CC12
InChIInChI=1S/C12H11ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-5,7,9,12,15H,6H2
InChIKeyVOUVICGAKOPHMT-UHFFFAOYSA-N
XLogP2.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2,4a,10b-tetrahydro-1,10-phenanthroline?
The IUPAC name of 5-chloro-1,2,4a,10b-tetrahydro-1,10-phenanthroline (CID 22958184) is 5-chloro-1,2,4a,10b-tetrahydro-1,10-phenanthroline.
What is the SMILES notation for 5-chloro-1,2,4a,10b-tetrahydro-1,10-phenanthroline?
The canonical SMILES for 5-chloro-1,2,4a,10b-tetrahydro-1,10-phenanthroline is ClC1=Cc2cccnc2C2NCC=CC12.
What is the InChIKey of 5-chloro-1,2,4a,10b-tetrahydro-1,10-phenanthroline?
The InChIKey is VOUVICGAKOPHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-5,7,9,12,15H,6H2.
What are the key properties of 5-chloro-1,2,4a,10b-tetrahydro-1,10-phenanthroline?
5-chloro-1,2,4a,10b-tetrahydro-1,10-phenanthroline has a molecular weight of 218.69 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2,4a,10b-tetrahydro-1,10-phenanthroline is sourced from PubChem (CID 22958184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).