2-(2-methylindazol-6-yl)-1-pyridin-2-ylethanone

C15H13N3O — CID 159057386

IUPAC2-(2-methylindazol-6-yl)-1-pyridin-2-ylethanone
SMILESCn1cc2ccc(CC(=O)c3ccccn3)cc2n1
InChIInChI=1S/C15H13N3O/c1-18-10-12-6-5-11(8-14(12)17-18)9-15(19)13-4-2-3-7-16-13/h2-8,10H,9H2,1H3
InChIKeyJYAHNQINXVQUME-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.39
Rot. Bonds3

About 2-(2-methylindazol-6-yl)-1-pyridin-2-ylethanone

2-(2-methylindazol-6-yl)-1-pyridin-2-ylethanone (PubChem CID 159057386) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(2-methylindazol-6-yl)-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-(2-methylindazol-6-yl)-1-pyridin-2-ylethanone
PubChem CID159057386
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(2-methylindazol-6-yl)-1-pyridin-2-ylethanone
SMILESCn1cc2ccc(CC(=O)c3ccccn3)cc2n1
InChIInChI=1S/C15H13N3O/c1-18-10-12-6-5-11(8-14(12)17-18)9-15(19)13-4-2-3-7-16-13/h2-8,10H,9H2,1H3
InChIKeyJYAHNQINXVQUME-UHFFFAOYSA-N
XLogP2.39
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindazol-6-yl)-1-pyridin-2-ylethanone?
The IUPAC name of 2-(2-methylindazol-6-yl)-1-pyridin-2-ylethanone (CID 159057386) is 2-(2-methylindazol-6-yl)-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-(2-methylindazol-6-yl)-1-pyridin-2-ylethanone?
The canonical SMILES for 2-(2-methylindazol-6-yl)-1-pyridin-2-ylethanone is Cn1cc2ccc(CC(=O)c3ccccn3)cc2n1.
What is the InChIKey of 2-(2-methylindazol-6-yl)-1-pyridin-2-ylethanone?
The InChIKey is JYAHNQINXVQUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-18-10-12-6-5-11(8-14(12)17-18)9-15(19)13-4-2-3-7-16-13/h2-8,10H,9H2,1H3.
What are the key properties of 2-(2-methylindazol-6-yl)-1-pyridin-2-ylethanone?
2-(2-methylindazol-6-yl)-1-pyridin-2-ylethanone has a molecular weight of 251.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindazol-6-yl)-1-pyridin-2-ylethanone is sourced from PubChem (CID 159057386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).