5-chloro-6-iodo-1,10-phenanthroline

C12H6ClIN2 — CID 163214528

IUPAC5-chloro-6-iodo-1,10-phenanthroline
SMILESClc1c(I)c2cccnc2c2ncccc12
InChIInChI=1S/C12H6ClIN2/c13-9-7-3-1-5-15-11(7)12-8(10(9)14)4-2-6-16-12/h1-6H
InChIKeyGARLJYQQGZKWGY-UHFFFAOYSA-N
MW340.55 g/mol
LogP4.04
Rot. Bonds

About 5-chloro-6-iodo-1,10-phenanthroline

5-chloro-6-iodo-1,10-phenanthroline (PubChem CID 163214528) has the molecular formula C12H6ClIN2 and a molecular weight of 340.55 g/mol. Its IUPAC name is 5-chloro-6-iodo-1,10-phenanthroline.

Molecular Properties

Compound Name5-chloro-6-iodo-1,10-phenanthroline
PubChem CID163214528
Molecular FormulaC12H6ClIN2
Molecular Weight340.55 g/mol
Exact Mass339.93
IUPAC Name5-chloro-6-iodo-1,10-phenanthroline
SMILESClc1c(I)c2cccnc2c2ncccc12
InChIInChI=1S/C12H6ClIN2/c13-9-7-3-1-5-15-11(7)12-8(10(9)14)4-2-6-16-12/h1-6H
InChIKeyGARLJYQQGZKWGY-UHFFFAOYSA-N
XLogP4.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-6-iodo-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
5-chloro-7-iodoquinolin-8-olate
CID 149159528
cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate)
CID 72708331
5-chloro-6-fluoroquinolin-8-ol
CID 166150236
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457
gallium tris((5-chloro-7-iodoquinolin-8-yl)oxidanium)
CID 4532978
bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)
CID 25009413
bis(5-chloro-7-iodoquinolin-8-ol);indium-111(3+)
CID 25009411
[1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline
CID 56941578
zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
CID 10462414
aluminum tris(5-chloroquinolin-8-olate)
CID 67131824
8-bromo-5-iodoquinoline
CID 14548352

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-iodo-1,10-phenanthroline?
The IUPAC name of 5-chloro-6-iodo-1,10-phenanthroline (CID 163214528) is 5-chloro-6-iodo-1,10-phenanthroline.
What is the SMILES notation for 5-chloro-6-iodo-1,10-phenanthroline?
The canonical SMILES for 5-chloro-6-iodo-1,10-phenanthroline is Clc1c(I)c2cccnc2c2ncccc12.
What is the InChIKey of 5-chloro-6-iodo-1,10-phenanthroline?
The InChIKey is GARLJYQQGZKWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClIN2/c13-9-7-3-1-5-15-11(7)12-8(10(9)14)4-2-6-16-12/h1-6H.
What are the key properties of 5-chloro-6-iodo-1,10-phenanthroline?
5-chloro-6-iodo-1,10-phenanthroline has a molecular weight of 340.55 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-iodo-1,10-phenanthroline is sourced from PubChem (CID 163214528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).