3,5-dichloro-4-(1,2-diaminoethyl)phenol;platinum(2+);diiodide

C8H10Cl2I2N2OPt — CID 10100974

IUPAC3,5-dichloro-4-(1,2-diaminoethyl)phenol;platinum(2+);diiodide
SMILESNCC(N)c1c(Cl)cc(O)cc1Cl.[I-].[I-].[Pt+2]
InChIInChI=1S/C8H10Cl2N2O.2HI.Pt/c9-5-1-4(13)2-6(10)8(5)7(12)3-11;;;/h1-2,7,13H,3,11-12H2;2*1H;/q;;;+2/p-2
InChIKeyYGYQCBQMGZUWGM-UHFFFAOYSA-L
MW669.97 g/mol
LogP-4.34
Rot. Bonds2

About 3,5-dichloro-4-(1,2-diaminoethyl)phenol;platinum(2+);diiodide

3,5-dichloro-4-(1,2-diaminoethyl)phenol;platinum(2+);diiodide (PubChem CID 10100974) has the molecular formula C8H10Cl2I2N2OPt and a molecular weight of 669.97 g/mol. Its IUPAC name is 3,5-dichloro-4-(1,2-diaminoethyl)phenol;platinum(2+);diiodide.

Molecular Properties

Compound Name3,5-dichloro-4-(1,2-diaminoethyl)phenol;platinum(2+);diiodide
PubChem CID10100974
Molecular FormulaC8H10Cl2I2N2OPt
Molecular Weight669.97 g/mol
Exact Mass668.79
IUPAC Name3,5-dichloro-4-(1,2-diaminoethyl)phenol;platinum(2+);diiodide
SMILESNCC(N)c1c(Cl)cc(O)cc1Cl.[I-].[I-].[Pt+2]
InChIInChI=1S/C8H10Cl2N2O.2HI.Pt/c9-5-1-4(13)2-6(10)8(5)7(12)3-11;;;/h1-2,7,13H,3,11-12H2;2*1H;/q;;;+2/p-2
InChIKeyYGYQCBQMGZUWGM-UHFFFAOYSA-L
XLogP-4.34
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500669.97
LogP ≤ 5-4.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-4-(1,2-diaminoethyl)phenol
CID 10100975
2-[(1R)-1,2-diaminoethyl]benzene-1,3,5-triol;hydrochloride
CID 171236660
3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol
CID 102369727
(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride
CID 171217423
3-chloro-2-[(1S)-1,2-diaminoethyl]phenol
CID 55277698
2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171224788
3-chloro-2-[(1R)-1,2-diaminoethyl]-6-fluorophenol
CID 131010003
(1R)-1-(2,3,6-trichlorophenyl)ethane-1,2-diamine
CID 130714145
4-[(1S,2R)-1-amino-2-(2,6-dichloro-4-hydroxyphenyl)-2-(ethylamino)ethyl]-3,5-dichlorophenol
CID 10431669
(1S)-1-(3,6-dichloro-2-fluorophenyl)ethane-1,2-diamine
CID 130692629
3-amino-2-(2-chloro-6-fluoro-4-hydroxyphenyl)propanoic acid
CID 84796511
4-bromo-2-chloro-6-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171253275

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(1,2-diaminoethyl)phenol;platinum(2+);diiodide?
The IUPAC name of 3,5-dichloro-4-(1,2-diaminoethyl)phenol;platinum(2+);diiodide (CID 10100974) is 3,5-dichloro-4-(1,2-diaminoethyl)phenol;platinum(2+);diiodide.
What is the SMILES notation for 3,5-dichloro-4-(1,2-diaminoethyl)phenol;platinum(2+);diiodide?
The canonical SMILES for 3,5-dichloro-4-(1,2-diaminoethyl)phenol;platinum(2+);diiodide is NCC(N)c1c(Cl)cc(O)cc1Cl.[I-].[I-].[Pt+2].
What is the InChIKey of 3,5-dichloro-4-(1,2-diaminoethyl)phenol;platinum(2+);diiodide?
The InChIKey is YGYQCBQMGZUWGM-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H10Cl2N2O.2HI.Pt/c9-5-1-4(13)2-6(10)8(5)7(12)3-11;;;/h1-2,7,13H,3,11-12H2;2*1H;/q;;;+2/p-2.
What are the key properties of 3,5-dichloro-4-(1,2-diaminoethyl)phenol;platinum(2+);diiodide?
3,5-dichloro-4-(1,2-diaminoethyl)phenol;platinum(2+);diiodide has a molecular weight of 669.97 g/mol, XLogP of -4.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(1,2-diaminoethyl)phenol;platinum(2+);diiodide is sourced from PubChem (CID 10100974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).