7-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid

C15H8BrFN2O2 — CID 83118689

IUPAC7-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cn2)nc2cc(Br)ccc12
InChIInChI=1S/C15H8BrFN2O2/c16-8-1-3-10-11(15(20)21)6-14(19-13(10)5-8)12-4-2-9(17)7-18-12/h1-7H,(H,20,21)
InChIKeyCFIREKUSQINUGM-UHFFFAOYSA-N
MW347.14 g/mol
LogP3.90
Rot. Bonds2

About 7-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid

7-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid (PubChem CID 83118689) has the molecular formula C15H8BrFN2O2 and a molecular weight of 347.14 g/mol. Its IUPAC name is 7-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid
PubChem CID83118689
Molecular FormulaC15H8BrFN2O2
Molecular Weight347.14 g/mol
Exact Mass345.98
IUPAC Name7-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cn2)nc2cc(Br)ccc12
InChIInChI=1S/C15H8BrFN2O2/c16-8-1-3-10-11(15(20)21)6-14(19-13(10)5-8)12-4-2-9(17)7-18-12/h1-7H,(H,20,21)
InChIKeyCFIREKUSQINUGM-UHFFFAOYSA-N
XLogP3.90
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.14
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid
CID 83120187
8-fluoro-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid
CID 83119404
4-bromo-2-[(5-fluoro-2-pyridinyl)sulfanyl]benzoic acid
CID 113298491
2-bromo-7-fluoroquinoline-4-carboxylic acid
CID 82184189
3-(7-bromo-4-carboxyquinolin-2-yl)naphthalen-2-olate
CID 135827965
7-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 4504347
4-bromo-2-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638178
2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid
CID 63462811
7-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid
CID 64988226
7-bromo-2-cyclohexylquinoline-4-carboxylic acid
CID 43805508
7-fluoroquinoline-4-carboxylic acid
CID 18475507
6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid
CID 994225

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid?
The IUPAC name of 7-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid (CID 83118689) is 7-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 7-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid?
The canonical SMILES for 7-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(F)cn2)nc2cc(Br)ccc12.
What is the InChIKey of 7-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid?
The InChIKey is CFIREKUSQINUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrFN2O2/c16-8-1-3-10-11(15(20)21)6-14(19-13(10)5-8)12-4-2-9(17)7-18-12/h1-7H,(H,20,21).
What are the key properties of 7-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid?
7-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid has a molecular weight of 347.14 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 83118689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).