2-bromoquinoline-5-carboxylic acid

C10H6BrNO2 — CID 174440420

IUPAC2-bromoquinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(Br)ccc12
InChIInChI=1S/C10H6BrNO2/c11-9-5-4-6-7(10(13)14)2-1-3-8(6)12-9/h1-5H,(H,13,14)
InChIKeyMIPPGOUANATVTF-UHFFFAOYSA-N
MW252.07 g/mol
LogP2.70
Rot. Bonds1

About 2-bromoquinoline-5-carboxylic acid

2-bromoquinoline-5-carboxylic acid (PubChem CID 174440420) has the molecular formula C10H6BrNO2 and a molecular weight of 252.07 g/mol. Its IUPAC name is 2-bromoquinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-bromoquinoline-5-carboxylic acid
PubChem CID174440420
Molecular FormulaC10H6BrNO2
Molecular Weight252.07 g/mol
Exact Mass250.96
IUPAC Name2-bromoquinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(Br)ccc12
InChIInChI=1S/C10H6BrNO2/c11-9-5-4-6-7(10(13)14)2-1-3-8(6)12-9/h1-5H,(H,13,14)
InChIKeyMIPPGOUANATVTF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-7-fluoroquinoline-4-carboxylic acid
CID 82184189
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
2,1-benzoxazole-4-carboxylic acid
CID 53422692
2-(but-3-enylamino)quinoline-5-carboxylic acid
CID 113465730
2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid
CID 174843899
2-(2,3-dimethylbutylamino)quinoline-5-carboxylic acid
CID 64597121
2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid
CID 82728278
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
2-[(2-hydroxy-2-methylpropyl)-methylamino]quinoline-5-carboxylic acid
CID 79380053
2-[(2-methoxy-2-methylpropyl)amino]quinoline-5-carboxylic acid
CID 104762233
2-(3-methylbutylsulfanyl)quinoline-5-carboxylic acid
CID 107747383
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950

Frequently Asked Questions

What is the IUPAC name of 2-bromoquinoline-5-carboxylic acid?
The IUPAC name of 2-bromoquinoline-5-carboxylic acid (CID 174440420) is 2-bromoquinoline-5-carboxylic acid.
What is the SMILES notation for 2-bromoquinoline-5-carboxylic acid?
The canonical SMILES for 2-bromoquinoline-5-carboxylic acid is O=C(O)c1cccc2nc(Br)ccc12.
What is the InChIKey of 2-bromoquinoline-5-carboxylic acid?
The InChIKey is MIPPGOUANATVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO2/c11-9-5-4-6-7(10(13)14)2-1-3-8(6)12-9/h1-5H,(H,13,14).
What are the key properties of 2-bromoquinoline-5-carboxylic acid?
2-bromoquinoline-5-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 2-bromoquinoline-5-carboxylic acid is sourced from PubChem (CID 174440420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).