5-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-6-carboxylic acid

C14H9BrFN3O2 — CID 59140163

IUPAC5-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2cncn2c1Nc1ccc(Br)cc1F
InChIInChI=1S/C14H9BrFN3O2/c15-8-1-4-12(11(16)5-8)18-13-10(14(20)21)3-2-9-6-17-7-19(9)13/h1-7,18H,(H,20,21)
InChIKeyMUXFETDUMFRGMI-UHFFFAOYSA-N
MW350.15 g/mol
LogP3.68
Rot. Bonds3

About 5-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-6-carboxylic acid

5-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 59140163) has the molecular formula C14H9BrFN3O2 and a molecular weight of 350.15 g/mol. Its IUPAC name is 5-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID59140163
Molecular FormulaC14H9BrFN3O2
Molecular Weight350.15 g/mol
Exact Mass348.99
IUPAC Name5-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2cncn2c1Nc1ccc(Br)cc1F
InChIInChI=1S/C14H9BrFN3O2/c15-8-1-4-12(11(16)5-8)18-13-10(14(20)21)3-2-9-6-17-7-19(9)13/h1-7,18H,(H,20,21)
InChIKeyMUXFETDUMFRGMI-UHFFFAOYSA-N
XLogP3.68
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.15
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 68649878
methyl 5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylate
CID 58324521
4-bromo-2-(2,4-difluoroanilino)benzoic acid
CID 139804641
7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxylic acid
CID 67083711
ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen
CID 143830550
2-(4-bromo-2-fluoroanilino)-5-[[4-(4-bromo-2-fluoroanilino)-3-carboxyphenyl]methyl]benzoic acid
CID 25051236
5-[(4-bromo-2-fluoroanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630591
4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxylic acid
CID 11580925
4-(4-bromo-2-fluoroanilino)-3-methylbenzoic acid
CID 55224143
6-(4-bromo-2-fluoroanilino)-7-fluoro-3H-benzimidazole-5-carboxylic acid
CID 21114208
1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
CID 58324526
3-(4-bromo-2-fluoroanilino)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylic acid
CID 140542623

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 5-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-6-carboxylic acid (CID 59140163) is 5-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2cncn2c1Nc1ccc(Br)cc1F.
What is the InChIKey of 5-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is MUXFETDUMFRGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O2/c15-8-1-4-12(11(16)5-8)18-13-10(14(20)21)3-2-9-6-17-7-19(9)13/h1-7,18H,(H,20,21).
What are the key properties of 5-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-6-carboxylic acid?
5-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 350.15 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 59140163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).