(6-amino-1,2-dichlorocyclohexa-2,4-dien-1-yl)methanol

C7H9Cl2NO — CID 70365416

IUPAC(6-amino-1,2-dichlorocyclohexa-2,4-dien-1-yl)methanol
SMILESNC1C=CC=C(Cl)C1(Cl)CO
InChIInChI=1S/C7H9Cl2NO/c8-5-2-1-3-6(10)7(5,9)4-11/h1-3,6,11H,4,10H2
InChIKeyUCJQRHZMXYJWLM-UHFFFAOYSA-N
MW194.06 g/mol
LogP0.98
Rot. Bonds1

About (6-amino-1,2-dichlorocyclohexa-2,4-dien-1-yl)methanol

(6-amino-1,2-dichlorocyclohexa-2,4-dien-1-yl)methanol (PubChem CID 70365416) has the molecular formula C7H9Cl2NO and a molecular weight of 194.06 g/mol. Its IUPAC name is (6-amino-1,2-dichlorocyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(6-amino-1,2-dichlorocyclohexa-2,4-dien-1-yl)methanol
PubChem CID70365416
Molecular FormulaC7H9Cl2NO
Molecular Weight194.06 g/mol
Exact Mass193.01
IUPAC Name(6-amino-1,2-dichlorocyclohexa-2,4-dien-1-yl)methanol
SMILESNC1C=CC=C(Cl)C1(Cl)CO
InChIInChI=1S/C7H9Cl2NO/c8-5-2-1-3-6(10)7(5,9)4-11/h1-3,6,11H,4,10H2
InChIKeyUCJQRHZMXYJWLM-UHFFFAOYSA-N
XLogP0.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-amino-1,2-dichlorocyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (6-amino-1,2-dichlorocyclohexa-2,4-dien-1-yl)methanol (CID 70365416) is (6-amino-1,2-dichlorocyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (6-amino-1,2-dichlorocyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (6-amino-1,2-dichlorocyclohexa-2,4-dien-1-yl)methanol is NC1C=CC=C(Cl)C1(Cl)CO.
What is the InChIKey of (6-amino-1,2-dichlorocyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is UCJQRHZMXYJWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2NO/c8-5-2-1-3-6(10)7(5,9)4-11/h1-3,6,11H,4,10H2.
What are the key properties of (6-amino-1,2-dichlorocyclohexa-2,4-dien-1-yl)methanol?
(6-amino-1,2-dichlorocyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 194.06 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-1,2-dichlorocyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 70365416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).