1-(2-pyridin-3-ylindazol-4-yl)ethanone

C14H11N3O — CID 122516362

IUPAC1-(2-pyridin-3-ylindazol-4-yl)ethanone
SMILESCC(=O)c1cccc2nn(-c3cccnc3)cc12
InChIInChI=1S/C14H11N3O/c1-10(18)12-5-2-6-14-13(12)9-17(16-14)11-4-3-7-15-8-11/h2-9H,1H3
InChIKeySAHXMXHPHLXANM-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.62
Rot. Bonds2

About 1-(2-pyridin-3-ylindazol-4-yl)ethanone

1-(2-pyridin-3-ylindazol-4-yl)ethanone (PubChem CID 122516362) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(2-pyridin-3-ylindazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-pyridin-3-ylindazol-4-yl)ethanone
PubChem CID122516362
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name1-(2-pyridin-3-ylindazol-4-yl)ethanone
SMILESCC(=O)c1cccc2nn(-c3cccnc3)cc12
InChIInChI=1S/C14H11N3O/c1-10(18)12-5-2-6-14-13(12)9-17(16-14)11-4-3-7-15-8-11/h2-9H,1H3
InChIKeySAHXMXHPHLXANM-UHFFFAOYSA-N
XLogP2.62
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(difluoromethyl)cyclopropan-1-amine;2-pyridin-3-ylindazole-4-carboxylic acid
CID 162110013
N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)acetamide
CID 144831982
3-acetyl-5-methoxy-1-pyridin-3-ylpyridazin-4-one
CID 59436177
3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
CID 67456871
3-methoxy-1-pyridin-3-ylpyrazole-4-carbonyl chloride
CID 146381573
methyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate
CID 171491004
5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid
CID 58072535
2-pyridin-3-yl-4H-pyrazolo[4,3-b]pyridin-5-one
CID 121320233
1-pyridin-3-yl-1,2,4-triazole-3-carboxylic acid
CID 76845333
5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione
CID 80643260
5-methoxy-2-pyridin-3-ylindazole
CID 121320237
2,5-dipyridin-3-ylindazole
CID 121379381

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-ylindazol-4-yl)ethanone?
The IUPAC name of 1-(2-pyridin-3-ylindazol-4-yl)ethanone (CID 122516362) is 1-(2-pyridin-3-ylindazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-pyridin-3-ylindazol-4-yl)ethanone?
The canonical SMILES for 1-(2-pyridin-3-ylindazol-4-yl)ethanone is CC(=O)c1cccc2nn(-c3cccnc3)cc12.
What is the InChIKey of 1-(2-pyridin-3-ylindazol-4-yl)ethanone?
The InChIKey is SAHXMXHPHLXANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-10(18)12-5-2-6-14-13(12)9-17(16-14)11-4-3-7-15-8-11/h2-9H,1H3.
What are the key properties of 1-(2-pyridin-3-ylindazol-4-yl)ethanone?
1-(2-pyridin-3-ylindazol-4-yl)ethanone has a molecular weight of 237.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-ylindazol-4-yl)ethanone is sourced from PubChem (CID 122516362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).