4-bromoquinoline-2-carboxylic acid

C10H6BrNO2 — CID 15530812

IUPAC4-bromoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(Br)c2ccccc2n1
InChIInChI=1S/C10H6BrNO2/c11-7-5-9(10(13)14)12-8-4-2-1-3-6(7)8/h1-5H,(H,13,14)
InChIKeyDLAHQKXVDUYPHR-UHFFFAOYSA-N
MW252.07 g/mol
LogP2.70
Rot. Bonds1

About 4-bromoquinoline-2-carboxylic acid

4-bromoquinoline-2-carboxylic acid (PubChem CID 15530812) has the molecular formula C10H6BrNO2 and a molecular weight of 252.07 g/mol. Its IUPAC name is 4-bromoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-bromoquinoline-2-carboxylic acid
PubChem CID15530812
Molecular FormulaC10H6BrNO2
Molecular Weight252.07 g/mol
Exact Mass250.96
IUPAC Name4-bromoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(Br)c2ccccc2n1
InChIInChI=1S/C10H6BrNO2/c11-7-5-9(10(13)14)12-8-4-2-1-3-6(7)8/h1-5H,(H,13,14)
InChIKeyDLAHQKXVDUYPHR-UHFFFAOYSA-N
XLogP2.70
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromoquinoline-2-carboxylic acid?
The IUPAC name of 4-bromoquinoline-2-carboxylic acid (CID 15530812) is 4-bromoquinoline-2-carboxylic acid.
What is the SMILES notation for 4-bromoquinoline-2-carboxylic acid?
The canonical SMILES for 4-bromoquinoline-2-carboxylic acid is O=C(O)c1cc(Br)c2ccccc2n1.
What is the InChIKey of 4-bromoquinoline-2-carboxylic acid?
The InChIKey is DLAHQKXVDUYPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO2/c11-7-5-9(10(13)14)12-8-4-2-1-3-6(7)8/h1-5H,(H,13,14).
What are the key properties of 4-bromoquinoline-2-carboxylic acid?
4-bromoquinoline-2-carboxylic acid has a molecular weight of 252.07 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromoquinoline-2-carboxylic acid is sourced from PubChem (CID 15530812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).