4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)

C14H8Br2F6N4O4 — CID 53237640

IUPAC4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESBrc1cc(-c2nccc3[nH]cnc23)[nH]c1Br.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C10H6Br2N4.2C2HF3O2/c11-5-3-7(16-10(5)12)9-8-6(1-2-13-9)14-4-15-8;2*3-2(4,5)1(6)7/h1-4,16H,(H,14,15);2*(H,6,7)
InChIKeyNUMIECVADITLTL-UHFFFAOYSA-N
MW570.04 g/mol
LogP4.74
Rot. Bonds1

About 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)

4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 53237640) has the molecular formula C14H8Br2F6N4O4 and a molecular weight of 570.04 g/mol. Its IUPAC name is 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
PubChem CID53237640
Molecular FormulaC14H8Br2F6N4O4
Molecular Weight570.04 g/mol
Exact Mass567.88
IUPAC Name4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESBrc1cc(-c2nccc3[nH]cnc23)[nH]c1Br.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C10H6Br2N4.2C2HF3O2/c11-5-3-7(16-10(5)12)9-8-6(1-2-13-9)14-4-15-8;2*3-2(4,5)1(6)7/h1-4,16H,(H,14,15);2*(H,6,7)
InChIKeyNUMIECVADITLTL-UHFFFAOYSA-N
XLogP4.74
TPSA131.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.04
LogP ≤ 54.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 53237640) is 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) is Brc1cc(-c2nccc3[nH]cnc23)[nH]c1Br.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is NUMIECVADITLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N4.2C2HF3O2/c11-5-3-7(16-10(5)12)9-8-6(1-2-13-9)14-4-15-8;2*3-2(4,5)1(6)7/h1-4,16H,(H,14,15);2*(H,6,7).
What are the key properties of 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 570.04 g/mol, XLogP of 4.74, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 53237640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).