6-amino-4,6-dichloro-5-methylcyclohexa-2,4-dien-1-ol

C7H9Cl2NO — CID 67103641

IUPAC6-amino-4,6-dichloro-5-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(Cl)C=CC(O)C1(N)Cl
InChIInChI=1S/C7H9Cl2NO/c1-4-5(8)2-3-6(11)7(4,9)10/h2-3,6,11H,10H2,1H3
InChIKeySZYMJQKDOZRVDL-UHFFFAOYSA-N
MW194.06 g/mol
LogP1.32
Rot. Bonds

About 6-amino-4,6-dichloro-5-methylcyclohexa-2,4-dien-1-ol

6-amino-4,6-dichloro-5-methylcyclohexa-2,4-dien-1-ol (PubChem CID 67103641) has the molecular formula C7H9Cl2NO and a molecular weight of 194.06 g/mol. Its IUPAC name is 6-amino-4,6-dichloro-5-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-4,6-dichloro-5-methylcyclohexa-2,4-dien-1-ol
PubChem CID67103641
Molecular FormulaC7H9Cl2NO
Molecular Weight194.06 g/mol
Exact Mass193.01
IUPAC Name6-amino-4,6-dichloro-5-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(Cl)C=CC(O)C1(N)Cl
InChIInChI=1S/C7H9Cl2NO/c1-4-5(8)2-3-6(11)7(4,9)10/h2-3,6,11H,10H2,1H3
InChIKeySZYMJQKDOZRVDL-UHFFFAOYSA-N
XLogP1.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4,6-dichloro-5-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-4,6-dichloro-5-methylcyclohexa-2,4-dien-1-ol (CID 67103641) is 6-amino-4,6-dichloro-5-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-4,6-dichloro-5-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-4,6-dichloro-5-methylcyclohexa-2,4-dien-1-ol is CC1=C(Cl)C=CC(O)C1(N)Cl.
What is the InChIKey of 6-amino-4,6-dichloro-5-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is SZYMJQKDOZRVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2NO/c1-4-5(8)2-3-6(11)7(4,9)10/h2-3,6,11H,10H2,1H3.
What are the key properties of 6-amino-4,6-dichloro-5-methylcyclohexa-2,4-dien-1-ol?
6-amino-4,6-dichloro-5-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 194.06 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,6-dichloro-5-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67103641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).