3-bromo-8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid

C10H5BrF2N6O2 — CID 118168147

IUPAC3-bromo-8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(-n2nnnc2C(F)F)c2ncc(Br)n2c1
InChIInChI=1S/C10H5BrF2N6O2/c11-6-2-14-8-5(1-4(10(20)21)3-18(6)8)19-9(7(12)13)15-16-17-19/h1-3,7H,(H,20,21)
InChIKeyFYDBDEUQZYHUSH-UHFFFAOYSA-N
MW359.09 g/mol
LogP1.71
Rot. Bonds3

About 3-bromo-8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid

3-bromo-8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 118168147) has the molecular formula C10H5BrF2N6O2 and a molecular weight of 359.09 g/mol. Its IUPAC name is 3-bromo-8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-bromo-8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID118168147
Molecular FormulaC10H5BrF2N6O2
Molecular Weight359.09 g/mol
Exact Mass357.96
IUPAC Name3-bromo-8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(-n2nnnc2C(F)F)c2ncc(Br)n2c1
InChIInChI=1S/C10H5BrF2N6O2/c11-6-2-14-8-5(1-4(10(20)21)3-18(6)8)19-9(7(12)13)15-16-17-19/h1-3,7H,(H,20,21)
InChIKeyFYDBDEUQZYHUSH-UHFFFAOYSA-N
XLogP1.71
TPSA98.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.09
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-bromo-8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid (CID 118168147) is 3-bromo-8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-bromo-8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-bromo-8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid is O=C(O)c1cc(-n2nnnc2C(F)F)c2ncc(Br)n2c1.
What is the InChIKey of 3-bromo-8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is FYDBDEUQZYHUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF2N6O2/c11-6-2-14-8-5(1-4(10(20)21)3-18(6)8)19-9(7(12)13)15-16-17-19/h1-3,7H,(H,20,21).
What are the key properties of 3-bromo-8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid?
3-bromo-8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 359.09 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 118168147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).