2-bromo-5-chlorocyclohexa-1,5-dien-1-amine

C6H7BrClN — CID 145024618

IUPAC2-bromo-5-chlorocyclohexa-1,5-dien-1-amine
SMILESNC1=C(Br)CCC(Cl)=C1
InChIInChI=1S/C6H7BrClN/c7-5-2-1-4(8)3-6(5)9/h3H,1-2,9H2
InChIKeyRWMDXPZPBISTLO-UHFFFAOYSA-N
MW208.49 g/mol
LogP2.47
Rot. Bonds

About 2-bromo-5-chlorocyclohexa-1,5-dien-1-amine

2-bromo-5-chlorocyclohexa-1,5-dien-1-amine (PubChem CID 145024618) has the molecular formula C6H7BrClN and a molecular weight of 208.49 g/mol. Its IUPAC name is 2-bromo-5-chlorocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-bromo-5-chlorocyclohexa-1,5-dien-1-amine
PubChem CID145024618
Molecular FormulaC6H7BrClN
Molecular Weight208.49 g/mol
Exact Mass206.95
IUPAC Name2-bromo-5-chlorocyclohexa-1,5-dien-1-amine
SMILESNC1=C(Br)CCC(Cl)=C1
InChIInChI=1S/C6H7BrClN/c7-5-2-1-4(8)3-6(5)9/h3H,1-2,9H2
InChIKeyRWMDXPZPBISTLO-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chlorocyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-bromo-5-chlorocyclohexa-1,5-dien-1-amine (CID 145024618) is 2-bromo-5-chlorocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-bromo-5-chlorocyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-bromo-5-chlorocyclohexa-1,5-dien-1-amine is NC1=C(Br)CCC(Cl)=C1.
What is the InChIKey of 2-bromo-5-chlorocyclohexa-1,5-dien-1-amine?
The InChIKey is RWMDXPZPBISTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrClN/c7-5-2-1-4(8)3-6(5)9/h3H,1-2,9H2.
What are the key properties of 2-bromo-5-chlorocyclohexa-1,5-dien-1-amine?
2-bromo-5-chlorocyclohexa-1,5-dien-1-amine has a molecular weight of 208.49 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chlorocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 145024618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).