2-bromo-7-chloronaphthalen-1-ol

C10H6BrClO — CID 82275045

IUPAC2-bromo-7-chloronaphthalen-1-ol
SMILESOc1c(Br)ccc2ccc(Cl)cc12
InChIInChI=1S/C10H6BrClO/c11-9-4-2-6-1-3-7(12)5-8(6)10(9)13/h1-5,13H
InChIKeyNVFPSNRZJLEAAU-UHFFFAOYSA-N
MW257.51 g/mol
LogP3.96
Rot. Bonds

About 2-bromo-7-chloronaphthalen-1-ol

2-bromo-7-chloronaphthalen-1-ol (PubChem CID 82275045) has the molecular formula C10H6BrClO and a molecular weight of 257.51 g/mol. Its IUPAC name is 2-bromo-7-chloronaphthalen-1-ol.

Molecular Properties

Compound Name2-bromo-7-chloronaphthalen-1-ol
PubChem CID82275045
Molecular FormulaC10H6BrClO
Molecular Weight257.51 g/mol
Exact Mass255.93
IUPAC Name2-bromo-7-chloronaphthalen-1-ol
SMILESOc1c(Br)ccc2ccc(Cl)cc12
InChIInChI=1S/C10H6BrClO/c11-9-4-2-6-1-3-7(12)5-8(6)10(9)13/h1-5,13H
InChIKeyNVFPSNRZJLEAAU-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-chloronaphthalen-1-ol?
The IUPAC name of 2-bromo-7-chloronaphthalen-1-ol (CID 82275045) is 2-bromo-7-chloronaphthalen-1-ol.
What is the SMILES notation for 2-bromo-7-chloronaphthalen-1-ol?
The canonical SMILES for 2-bromo-7-chloronaphthalen-1-ol is Oc1c(Br)ccc2ccc(Cl)cc12.
What is the InChIKey of 2-bromo-7-chloronaphthalen-1-ol?
The InChIKey is NVFPSNRZJLEAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClO/c11-9-4-2-6-1-3-7(12)5-8(6)10(9)13/h1-5,13H.
What are the key properties of 2-bromo-7-chloronaphthalen-1-ol?
2-bromo-7-chloronaphthalen-1-ol has a molecular weight of 257.51 g/mol, XLogP of 3.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-chloronaphthalen-1-ol is sourced from PubChem (CID 82275045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).