N-chloro-1,10-phenanthrolin-2-amine

C12H8ClN3 — CID 90121840

IUPACN-chloro-1,10-phenanthrolin-2-amine
SMILESClNc1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C12H8ClN3/c13-16-10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10/h1-7H,(H,15,16)
InChIKeyYXILQWOEVQSFHU-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.35
Rot. Bonds1

About N-chloro-1,10-phenanthrolin-2-amine

N-chloro-1,10-phenanthrolin-2-amine (PubChem CID 90121840) has the molecular formula C12H8ClN3 and a molecular weight of 229.67 g/mol. Its IUPAC name is N-chloro-1,10-phenanthrolin-2-amine.

Molecular Properties

Compound NameN-chloro-1,10-phenanthrolin-2-amine
PubChem CID90121840
Molecular FormulaC12H8ClN3
Molecular Weight229.67 g/mol
Exact Mass229.04
IUPAC NameN-chloro-1,10-phenanthrolin-2-amine
SMILESClNc1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C12H8ClN3/c13-16-10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10/h1-7H,(H,15,16)
InChIKeyYXILQWOEVQSFHU-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-1,10-phenanthrolin-2-amine
CID 132850503
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
dichlorocopper;hydrogen peroxide;1,10-phenanthroline
CID 158916437
dichlororuthenium;tris(1,10-phenanthroline);hexahydrate
CID 53393580
N'-(1,10-phenanthrolin-2-yl)propane-1,3-diamine
CID 132938270
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127

Frequently Asked Questions

What is the IUPAC name of N-chloro-1,10-phenanthrolin-2-amine?
The IUPAC name of N-chloro-1,10-phenanthrolin-2-amine (CID 90121840) is N-chloro-1,10-phenanthrolin-2-amine.
What is the SMILES notation for N-chloro-1,10-phenanthrolin-2-amine?
The canonical SMILES for N-chloro-1,10-phenanthrolin-2-amine is ClNc1ccc2ccc3cccnc3c2n1.
What is the InChIKey of N-chloro-1,10-phenanthrolin-2-amine?
The InChIKey is YXILQWOEVQSFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3/c13-16-10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10/h1-7H,(H,15,16).
What are the key properties of N-chloro-1,10-phenanthrolin-2-amine?
N-chloro-1,10-phenanthrolin-2-amine has a molecular weight of 229.67 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1,10-phenanthrolin-2-amine is sourced from PubChem (CID 90121840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).