1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid

C12H6Cl2N2O3 — CID 117250442

IUPAC1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2c(Cl)nc(-c3ccc(Cl)o3)n12
InChIInChI=1S/C12H6Cl2N2O3/c13-9-5-4-8(19-9)11-15-10(14)6-2-1-3-7(12(17)18)16(6)11/h1-5H,(H,17,18)
InChIKeyOGSSLUAWADXJAR-UHFFFAOYSA-N
MW297.10 g/mol
LogP3.60
Rot. Bonds2

About 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid

1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 117250442) has the molecular formula C12H6Cl2N2O3 and a molecular weight of 297.10 g/mol. Its IUPAC name is 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
PubChem CID117250442
Molecular FormulaC12H6Cl2N2O3
Molecular Weight297.10 g/mol
Exact Mass295.98
IUPAC Name1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2c(Cl)nc(-c3ccc(Cl)o3)n12
InChIInChI=1S/C12H6Cl2N2O3/c13-9-5-4-8(19-9)11-15-10(14)6-2-1-3-7(12(17)18)16(6)11/h1-5H,(H,17,18)
InChIKeyOGSSLUAWADXJAR-UHFFFAOYSA-N
XLogP3.60
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid (CID 117250442) is 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid is O=C(O)c1cccc2c(Cl)nc(-c3ccc(Cl)o3)n12.
What is the InChIKey of 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is OGSSLUAWADXJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O3/c13-9-5-4-8(19-9)11-15-10(14)6-2-1-3-7(12(17)18)16(6)11/h1-5H,(H,17,18).
What are the key properties of 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid?
1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 297.10 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117250442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).