2-bromo-7-fluoroquinoline-4-carboxylic acid

C10H5BrFNO2 — CID 82184189

IUPAC2-bromo-7-fluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(Br)nc2cc(F)ccc12
InChIInChI=1S/C10H5BrFNO2/c11-9-4-7(10(14)15)6-2-1-5(12)3-8(6)13-9/h1-4H,(H,14,15)
InChIKeyNKDMHQPHBVUWLZ-UHFFFAOYSA-N
MW270.06 g/mol
LogP2.83
Rot. Bonds1

About 2-bromo-7-fluoroquinoline-4-carboxylic acid

2-bromo-7-fluoroquinoline-4-carboxylic acid (PubChem CID 82184189) has the molecular formula C10H5BrFNO2 and a molecular weight of 270.06 g/mol. Its IUPAC name is 2-bromo-7-fluoroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-bromo-7-fluoroquinoline-4-carboxylic acid
PubChem CID82184189
Molecular FormulaC10H5BrFNO2
Molecular Weight270.06 g/mol
Exact Mass268.95
IUPAC Name2-bromo-7-fluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(Br)nc2cc(F)ccc12
InChIInChI=1S/C10H5BrFNO2/c11-9-4-7(10(14)15)6-2-1-5(12)3-8(6)13-9/h1-4H,(H,14,15)
InChIKeyNKDMHQPHBVUWLZ-UHFFFAOYSA-N
XLogP2.83
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.06
LogP ≤ 52.83
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-6-fluoroquinoline-4-carboxylic acid
CID 82184190
2-(aminomethyl)-7-fluoroquinoline-4-carboxylic acid
CID 84623450
7-fluoroquinoline-4-carboxylic acid
CID 18475507
2-bromoquinoline-5-carboxylic acid
CID 174440420
7-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid
CID 83118689
7-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid
CID 64988226
2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid
CID 16789242
7-fluoro-2-(3-methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 63992799
7-fluoro-2-pyrrolidin-3-ylquinoline-4-carboxylic acid
CID 84638041
7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid
CID 113483500
2-bromo-6-propan-2-ylquinoline-4-carboxylic acid
CID 82184206
2-bromo-6-ethylquinoline-4-carboxylic acid
CID 82184197

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-fluoroquinoline-4-carboxylic acid?
The IUPAC name of 2-bromo-7-fluoroquinoline-4-carboxylic acid (CID 82184189) is 2-bromo-7-fluoroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-bromo-7-fluoroquinoline-4-carboxylic acid?
The canonical SMILES for 2-bromo-7-fluoroquinoline-4-carboxylic acid is O=C(O)c1cc(Br)nc2cc(F)ccc12.
What is the InChIKey of 2-bromo-7-fluoroquinoline-4-carboxylic acid?
The InChIKey is NKDMHQPHBVUWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFNO2/c11-9-4-7(10(14)15)6-2-1-5(12)3-8(6)13-9/h1-4H,(H,14,15).
What are the key properties of 2-bromo-7-fluoroquinoline-4-carboxylic acid?
2-bromo-7-fluoroquinoline-4-carboxylic acid has a molecular weight of 270.06 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-fluoroquinoline-4-carboxylic acid is sourced from PubChem (CID 82184189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).