dichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine

C16H15Cl2FeN3 — CID 18719425

IUPACdichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine
SMILESCc1cccc(-c2ccc(-c3cccc(C)n3)[nH]2)n1.Cl[Fe]Cl
InChIInChI=1S/C16H15N3.2ClH.Fe/c1-11-5-3-7-13(17-11)15-9-10-16(19-15)14-8-4-6-12(2)18-14;;;/h3-10,19H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyZLCFZSUHIKORPF-UHFFFAOYSA-L
MW376.07 g/mol
LogP5.13
Rot. Bonds2

About dichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine

dichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine (PubChem CID 18719425) has the molecular formula C16H15Cl2FeN3 and a molecular weight of 376.07 g/mol. Its IUPAC name is dichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine.

Molecular Properties

Compound Namedichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine
PubChem CID18719425
Molecular FormulaC16H15Cl2FeN3
Molecular Weight376.07 g/mol
Exact Mass375.00
IUPAC Namedichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine
SMILESCc1cccc(-c2ccc(-c3cccc(C)n3)[nH]2)n1.Cl[Fe]Cl
InChIInChI=1S/C16H15N3.2ClH.Fe/c1-11-5-3-7-13(17-11)15-9-10-16(19-15)14-8-4-6-12(2)18-14;;;/h3-10,19H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyZLCFZSUHIKORPF-UHFFFAOYSA-L
XLogP5.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.07
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(2,7-ditert-butylanthracen-9-yl)-1H-pyrrol-2-yl]-6-methylpyridine
CID 149011532
4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 135741704
bis(3,6-bis(6-methyl-2-pyridinyl)pyridazine);chloronickel
CID 87631405
3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper
CID 69390667
2-anthracen-9-yl-6-methylpyridine
CID 144659337
3-amino-2-(6-methyl-2-pyridinyl)phenol
CID 135788319
6,7-dimethyl-2,3-bis(6-methyl-2-pyridinyl)quinoxaline
CID 15427002
2,4,6-tris[3,5-bis(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 129265668
2-amino-6-(6-methyl-2-pyridinyl)-1H-1,3,5-triazine-4-thione
CID 83241208
2-[2,4-bis(6-methyl-2-pyridinyl)-1H-imidazol-5-yl]-6-methylpyridine
CID 176548812
2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine
CID 138453473
hydron;2-methyl-6-[5-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]pyridine;3-(6-methyl-2-pyridinyl)-6-[6-(6-methyl-2-pyridinyl)pyridazin-3-yl]pyridazine;6-(6-methyl-2-pyridinyl)-3-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]-1,4,5,6-tetrahydropyridazine
CID 161161963

Frequently Asked Questions

What is the IUPAC name of dichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine?
The IUPAC name of dichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine (CID 18719425) is dichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine.
What is the SMILES notation for dichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine?
The canonical SMILES for dichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine is Cc1cccc(-c2ccc(-c3cccc(C)n3)[nH]2)n1.Cl[Fe]Cl.
What is the InChIKey of dichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine?
The InChIKey is ZLCFZSUHIKORPF-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H15N3.2ClH.Fe/c1-11-5-3-7-13(17-11)15-9-10-16(19-15)14-8-4-6-12(2)18-14;;;/h3-10,19H,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine?
dichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine has a molecular weight of 376.07 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine is sourced from PubChem (CID 18719425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).