dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride

C24H28Cl3CoN4 — CID 119057635

IUPACdichlorocobalt(1+);tetrakis(3-methylpyridine);chloride
SMILESCc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cl[Co+]Cl.[Cl-]
InChIInChI=1S/4C6H7N.3ClH.Co/c4*1-6-3-2-4-7-5-6;;;;/h4*2-5H,1H3;3*1H;/q;;;;;;;+3/p-3
InChIKeySFBSRZHKQVREDM-UHFFFAOYSA-K
MW537.81 g/mol
LogP3.94
Rot. Bonds

About dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride

dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride (PubChem CID 119057635) has the molecular formula C24H28Cl3CoN4 and a molecular weight of 537.81 g/mol. Its IUPAC name is dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride.

Molecular Properties

Compound Namedichlorocobalt(1+);tetrakis(3-methylpyridine);chloride
PubChem CID119057635
Molecular FormulaC24H28Cl3CoN4
Molecular Weight537.81 g/mol
Exact Mass536.07
IUPAC Namedichlorocobalt(1+);tetrakis(3-methylpyridine);chloride
SMILESCc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cl[Co+]Cl.[Cl-]
InChIInChI=1S/4C6H7N.3ClH.Co/c4*1-6-3-2-4-7-5-6;;;;/h4*2-5H,1H3;3*1H;/q;;;;;;;+3/p-3
InChIKeySFBSRZHKQVREDM-UHFFFAOYSA-K
XLogP3.94
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.81
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702
bis(3-methylpyridine);platinum(2+);dichloride
CID 23341677
bis(3-methylpyridine);tetrachloroplatinum
CID 3415062
ethane;3-methylpyridine;hydroiodide
CID 143140941
3-chloropyridine;3-methylpyridine
CID 174960532
N,N-dimethylmethanamine;ethane;3-methylpyridine
CID 142096313
ethane;methoxymethane;bis(3-methylpyridine)
CID 159558388
3-methylpyridine;4-methylpyridine
CID 21425791
ethane;methane;3-methylpyridine;toluene;1,4-xylene
CID 159514301
2-chloro-5-methylpyridine;3-methylpyridine
CID 143093216
methoxyethane;3-methylpyridine
CID 144662760
boric acid;3-methylpyridine;tetrafluoroborate
CID 174506250

Frequently Asked Questions

What is the IUPAC name of dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride?
The IUPAC name of dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride (CID 119057635) is dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride.
What is the SMILES notation for dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride?
The canonical SMILES for dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride is Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cl[Co+]Cl.[Cl-].
What is the InChIKey of dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride?
The InChIKey is SFBSRZHKQVREDM-UHFFFAOYSA-K. The full InChI is InChI=1S/4C6H7N.3ClH.Co/c4*1-6-3-2-4-7-5-6;;;;/h4*2-5H,1H3;3*1H;/q;;;;;;;+3/p-3.
What are the key properties of dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride?
dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride has a molecular weight of 537.81 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride is sourced from PubChem (CID 119057635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).