3-amino-2,4-dichlorocyclohexa-2,4-dien-1-ol

C6H7Cl2NO — CID 164978960

IUPAC3-amino-2,4-dichlorocyclohexa-2,4-dien-1-ol
SMILESNC1=C(Cl)C(O)CC=C1Cl
InChIInChI=1S/C6H7Cl2NO/c7-3-1-2-4(10)5(8)6(3)9/h1,4,10H,2,9H2
InChIKeyFERFOIBUENGRMM-UHFFFAOYSA-N
MW180.03 g/mol
LogP1.28
Rot. Bonds

About 3-amino-2,4-dichlorocyclohexa-2,4-dien-1-ol

3-amino-2,4-dichlorocyclohexa-2,4-dien-1-ol (PubChem CID 164978960) has the molecular formula C6H7Cl2NO and a molecular weight of 180.03 g/mol. Its IUPAC name is 3-amino-2,4-dichlorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name3-amino-2,4-dichlorocyclohexa-2,4-dien-1-ol
PubChem CID164978960
Molecular FormulaC6H7Cl2NO
Molecular Weight180.03 g/mol
Exact Mass178.99
IUPAC Name3-amino-2,4-dichlorocyclohexa-2,4-dien-1-ol
SMILESNC1=C(Cl)C(O)CC=C1Cl
InChIInChI=1S/C6H7Cl2NO/c7-3-1-2-4(10)5(8)6(3)9/h1,4,10H,2,9H2
InChIKeyFERFOIBUENGRMM-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.03
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-dichlorocyclohexa-2,4-dien-1-ol?
The IUPAC name of 3-amino-2,4-dichlorocyclohexa-2,4-dien-1-ol (CID 164978960) is 3-amino-2,4-dichlorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 3-amino-2,4-dichlorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 3-amino-2,4-dichlorocyclohexa-2,4-dien-1-ol is NC1=C(Cl)C(O)CC=C1Cl.
What is the InChIKey of 3-amino-2,4-dichlorocyclohexa-2,4-dien-1-ol?
The InChIKey is FERFOIBUENGRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2NO/c7-3-1-2-4(10)5(8)6(3)9/h1,4,10H,2,9H2.
What are the key properties of 3-amino-2,4-dichlorocyclohexa-2,4-dien-1-ol?
3-amino-2,4-dichlorocyclohexa-2,4-dien-1-ol has a molecular weight of 180.03 g/mol, XLogP of 1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-dichlorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 164978960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).