8-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-7-carboxylic acid

C14H9BrFN3O2 — CID 68649878

IUPAC8-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2cncc2c1Nc1ccc(Br)cc1F
InChIInChI=1S/C14H9BrFN3O2/c15-8-1-2-11(10(16)5-8)18-13-9(14(20)21)3-4-19-7-17-6-12(13)19/h1-7,18H,(H,20,21)
InChIKeyWNSAXRBPEVGXQC-UHFFFAOYSA-N
MW350.15 g/mol
LogP3.68
Rot. Bonds3

About 8-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-7-carboxylic acid

8-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 68649878) has the molecular formula C14H9BrFN3O2 and a molecular weight of 350.15 g/mol. Its IUPAC name is 8-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name8-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID68649878
Molecular FormulaC14H9BrFN3O2
Molecular Weight350.15 g/mol
Exact Mass348.99
IUPAC Name8-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2cncc2c1Nc1ccc(Br)cc1F
InChIInChI=1S/C14H9BrFN3O2/c15-8-1-2-11(10(16)5-8)18-13-9(14(20)21)3-4-19-7-17-6-12(13)19/h1-7,18H,(H,20,21)
InChIKeyWNSAXRBPEVGXQC-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

5-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 59140163
7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxylic acid
CID 67083711
2-(4-bromo-2-fluoroanilino)-5-[[4-(4-bromo-2-fluoroanilino)-3-carboxyphenyl]methyl]benzoic acid
CID 25051236
6-(4-bromo-2-fluoroanilino)-7-fluoro-3H-benzimidazole-5-carboxylic acid
CID 21114208
4-bromo-2-(2,4-difluoroanilino)benzoic acid
CID 139804641
4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxylic acid
CID 11580925
4-(4-bromo-2-fluoroanilino)-5-(chloromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 90767040
7-(4-bromo-2-fluoroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxamide
CID 71189060
5-[(4-bromo-2-fluoroanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630591
4-(4-bromo-2-fluoroanilino)-3-methylbenzoic acid
CID 55224143
3-(4-bromo-2-fluoroanilino)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylic acid
CID 140542623
7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxamide
CID 143922211

Frequently Asked Questions

What is the IUPAC name of 8-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 8-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-7-carboxylic acid (CID 68649878) is 8-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 8-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 8-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2cncc2c1Nc1ccc(Br)cc1F.
What is the InChIKey of 8-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is WNSAXRBPEVGXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O2/c15-8-1-2-11(10(16)5-8)18-13-9(14(20)21)3-4-19-7-17-6-12(13)19/h1-7,18H,(H,20,21).
What are the key properties of 8-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-7-carboxylic acid?
8-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-7-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 8-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 68649878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).