1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone

C15H12FN3O — CID 79722368

IUPAC1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone
SMILESCn1nc(CC(=O)c2ccc(F)cn2)c2ccccc21
InChIInChI=1S/C15H12FN3O/c1-19-14-5-3-2-4-11(14)13(18-19)8-15(20)12-7-6-10(16)9-17-12/h2-7,9H,8H2,1H3
InChIKeyBGBQJPIGIIUZRH-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.53
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone

1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone (PubChem CID 79722368) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone
PubChem CID79722368
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone
SMILESCn1nc(CC(=O)c2ccc(F)cn2)c2ccccc21
InChIInChI=1S/C15H12FN3O/c1-19-14-5-3-2-4-11(14)13(18-19)8-15(20)12-7-6-10(16)9-17-12/h2-7,9H,8H2,1H3
InChIKeyBGBQJPIGIIUZRH-UHFFFAOYSA-N
XLogP2.53
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone
CID 116605215
2-(1-methylindazol-3-yl)acetamide
CID 67465474
1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 107996468
1-(5-bromo-2-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 114894285
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 79721702
1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone
CID 106691110
1-(4,5-dibromothiophen-2-yl)-2-(1-methylindazol-3-yl)ethanone
CID 115778362
1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone
CID 105111002
4-methyl-1-(1-methylindazol-3-yl)hexan-2-one
CID 115778384
1-(3-amino-5-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 116597401
1-(4-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 115778454
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone (CID 79722368) is 1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone is Cn1nc(CC(=O)c2ccc(F)cn2)c2ccccc21.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone?
The InChIKey is BGBQJPIGIIUZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-19-14-5-3-2-4-11(14)13(18-19)8-15(20)12-7-6-10(16)9-17-12/h2-7,9H,8H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone?
1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone has a molecular weight of 269.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone is sourced from PubChem (CID 79722368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).