biphenylene-2-carboxylic acid;hydrochloride

C13H9ClO2 — CID 70419826

IUPACbiphenylene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C13H8O2.ClH/c14-13(15)8-5-6-11-9-3-1-2-4-10(9)12(11)7-8;/h1-7H,(H,14,15);1H
InChIKeyQMKUQHSCTXGWEK-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.45
Rot. Bonds1

About biphenylene-2-carboxylic acid;hydrochloride

biphenylene-2-carboxylic acid;hydrochloride (PubChem CID 70419826) has the molecular formula C13H9ClO2 and a molecular weight of 232.67 g/mol. Its IUPAC name is biphenylene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namebiphenylene-2-carboxylic acid;hydrochloride
PubChem CID70419826
Molecular FormulaC13H9ClO2
Molecular Weight232.67 g/mol
Exact Mass232.03
IUPAC Namebiphenylene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C13H8O2.ClH/c14-13(15)8-5-6-11-9-3-1-2-4-10(9)12(11)7-8;/h1-7H,(H,14,15);1H
InChIKeyQMKUQHSCTXGWEK-UHFFFAOYSA-N
XLogP3.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of biphenylene-2-carboxylic acid;hydrochloride?
The IUPAC name of biphenylene-2-carboxylic acid;hydrochloride (CID 70419826) is biphenylene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for biphenylene-2-carboxylic acid;hydrochloride?
The canonical SMILES for biphenylene-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc2c(c1)-c1ccccc1-2.
What is the InChIKey of biphenylene-2-carboxylic acid;hydrochloride?
The InChIKey is QMKUQHSCTXGWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2.ClH/c14-13(15)8-5-6-11-9-3-1-2-4-10(9)12(11)7-8;/h1-7H,(H,14,15);1H.
What are the key properties of biphenylene-2-carboxylic acid;hydrochloride?
biphenylene-2-carboxylic acid;hydrochloride has a molecular weight of 232.67 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 70419826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).