(2-fluorophenyl)-(1-methylindazol-3-yl)methanone

C15H11FN2O — CID 103124147

IUPAC(2-fluorophenyl)-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C15H11FN2O/c1-18-13-9-5-3-7-11(13)14(17-18)15(19)10-6-2-4-8-12(10)16/h2-9H,1H3
InChIKeyWKPDIVHMFOEUPY-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.94
Rot. Bonds2

About (2-fluorophenyl)-(1-methylindazol-3-yl)methanone

(2-fluorophenyl)-(1-methylindazol-3-yl)methanone (PubChem CID 103124147) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is (2-fluorophenyl)-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(1-methylindazol-3-yl)methanone
PubChem CID103124147
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name(2-fluorophenyl)-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C15H11FN2O/c1-18-13-9-5-3-7-11(13)14(17-18)15(19)10-6-2-4-8-12(10)16/h2-9H,1H3
InChIKeyWKPDIVHMFOEUPY-UHFFFAOYSA-N
XLogP2.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(1-methylindazol-3-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(1-methylindazol-3-yl)methanone (CID 103124147) is (2-fluorophenyl)-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(1-methylindazol-3-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(1-methylindazol-3-yl)methanone is Cn1nc(C(=O)c2ccccc2F)c2ccccc21.
What is the InChIKey of (2-fluorophenyl)-(1-methylindazol-3-yl)methanone?
The InChIKey is WKPDIVHMFOEUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c1-18-13-9-5-3-7-11(13)14(17-18)15(19)10-6-2-4-8-12(10)16/h2-9H,1H3.
What are the key properties of (2-fluorophenyl)-(1-methylindazol-3-yl)methanone?
(2-fluorophenyl)-(1-methylindazol-3-yl)methanone has a molecular weight of 254.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 103124147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).