2-chloro-4-iodo-5-methylbenzene-1,3-diamine

C7H8ClIN2 — CID 90436399

IUPAC2-chloro-4-iodo-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)c(Cl)c(N)c1I
InChIInChI=1S/C7H8ClIN2/c1-3-2-4(10)5(8)7(11)6(3)9/h2H,10-11H2,1H3
InChIKeyGMFMRSSBFIRVHQ-UHFFFAOYSA-N
MW282.51 g/mol
LogP2.42
Rot. Bonds

About 2-chloro-4-iodo-5-methylbenzene-1,3-diamine

2-chloro-4-iodo-5-methylbenzene-1,3-diamine (PubChem CID 90436399) has the molecular formula C7H8ClIN2 and a molecular weight of 282.51 g/mol. Its IUPAC name is 2-chloro-4-iodo-5-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name2-chloro-4-iodo-5-methylbenzene-1,3-diamine
PubChem CID90436399
Molecular FormulaC7H8ClIN2
Molecular Weight282.51 g/mol
Exact Mass281.94
IUPAC Name2-chloro-4-iodo-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)c(Cl)c(N)c1I
InChIInChI=1S/C7H8ClIN2/c1-3-2-4(10)5(8)7(11)6(3)9/h2H,10-11H2,1H3
InChIKeyGMFMRSSBFIRVHQ-UHFFFAOYSA-N
XLogP2.42
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.51
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-5-methylbenzene-1,3-diamine?
The IUPAC name of 2-chloro-4-iodo-5-methylbenzene-1,3-diamine (CID 90436399) is 2-chloro-4-iodo-5-methylbenzene-1,3-diamine.
What is the SMILES notation for 2-chloro-4-iodo-5-methylbenzene-1,3-diamine?
The canonical SMILES for 2-chloro-4-iodo-5-methylbenzene-1,3-diamine is Cc1cc(N)c(Cl)c(N)c1I.
What is the InChIKey of 2-chloro-4-iodo-5-methylbenzene-1,3-diamine?
The InChIKey is GMFMRSSBFIRVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClIN2/c1-3-2-4(10)5(8)7(11)6(3)9/h2H,10-11H2,1H3.
What are the key properties of 2-chloro-4-iodo-5-methylbenzene-1,3-diamine?
2-chloro-4-iodo-5-methylbenzene-1,3-diamine has a molecular weight of 282.51 g/mol, XLogP of 2.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-5-methylbenzene-1,3-diamine is sourced from PubChem (CID 90436399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).