1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone

C14H10BrN3O — CID 118663851

IUPAC1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C14H10BrN3O/c1-9(19)12-3-2-4-14(17-12)18-13-7-11(15)6-5-10(13)8-16-18/h2-8H,1H3
InChIKeyBPFJOHKYNUSEPH-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.39
Rot. Bonds2

About 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone

1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone (PubChem CID 118663851) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone
PubChem CID118663851
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C14H10BrN3O/c1-9(19)12-3-2-4-14(17-12)18-13-7-11(15)6-5-10(13)8-16-18/h2-8H,1H3
InChIKeyBPFJOHKYNUSEPH-UHFFFAOYSA-N
XLogP3.39
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone 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 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone (CID 118663851) is 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone is CC(=O)c1cccc(-n2ncc3ccc(Br)cc32)n1.
What is the InChIKey of 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone?
The InChIKey is BPFJOHKYNUSEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c1-9(19)12-3-2-4-14(17-12)18-13-7-11(15)6-5-10(13)8-16-18/h2-8H,1H3.
What are the key properties of 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone?
1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone has a molecular weight of 316.16 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 118663851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).