8-bromoquinoline-3-carboxylic acid;hydrate

C10H8BrNO3 — CID 71710960

IUPAC8-bromoquinoline-3-carboxylic acid;hydrate
SMILESO.O=C(O)c1cnc2c(Br)cccc2c1
InChIInChI=1S/C10H6BrNO2.H2O/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8;/h1-5H,(H,13,14);1H2
InChIKeyBPHSKRGVFUAODQ-UHFFFAOYSA-N
MW270.08 g/mol
LogP1.87
Rot. Bonds1

About 8-bromoquinoline-3-carboxylic acid;hydrate

8-bromoquinoline-3-carboxylic acid;hydrate (PubChem CID 71710960) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is 8-bromoquinoline-3-carboxylic acid;hydrate.

Molecular Properties

Compound Name8-bromoquinoline-3-carboxylic acid;hydrate
PubChem CID71710960
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Name8-bromoquinoline-3-carboxylic acid;hydrate
SMILESO.O=C(O)c1cnc2c(Br)cccc2c1
InChIInChI=1S/C10H6BrNO2.H2O/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8;/h1-5H,(H,13,14);1H2
InChIKeyBPHSKRGVFUAODQ-UHFFFAOYSA-N
XLogP1.87
TPSA81.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromoquinoline-3-carboxylic acid;hydrate?
The IUPAC name of 8-bromoquinoline-3-carboxylic acid;hydrate (CID 71710960) is 8-bromoquinoline-3-carboxylic acid;hydrate.
What is the SMILES notation for 8-bromoquinoline-3-carboxylic acid;hydrate?
The canonical SMILES for 8-bromoquinoline-3-carboxylic acid;hydrate is O.O=C(O)c1cnc2c(Br)cccc2c1.
What is the InChIKey of 8-bromoquinoline-3-carboxylic acid;hydrate?
The InChIKey is BPHSKRGVFUAODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO2.H2O/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8;/h1-5H,(H,13,14);1H2.
What are the key properties of 8-bromoquinoline-3-carboxylic acid;hydrate?
8-bromoquinoline-3-carboxylic acid;hydrate has a molecular weight of 270.08 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromoquinoline-3-carboxylic acid;hydrate is sourced from PubChem (CID 71710960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).