(3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone

C15H10F2N2O — CID 103124566

IUPAC(3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)c2ccc(F)c(F)c2)c2ccccc21
InChIInChI=1S/C15H10F2N2O/c1-19-13-5-3-2-4-10(13)14(18-19)15(20)9-6-7-11(16)12(17)8-9/h2-8H,1H3
InChIKeyZQTZRTFKJBFESQ-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.08
Rot. Bonds2

About (3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone

(3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone (PubChem CID 103124566) has the molecular formula C15H10F2N2O and a molecular weight of 272.25 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone
PubChem CID103124566
Molecular FormulaC15H10F2N2O
Molecular Weight272.25 g/mol
Exact Mass272.08
IUPAC Name(3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)c2ccc(F)c(F)c2)c2ccccc21
InChIInChI=1S/C15H10F2N2O/c1-19-13-5-3-2-4-10(13)14(18-19)15(20)9-6-7-11(16)12(17)8-9/h2-8H,1H3
InChIKeyZQTZRTFKJBFESQ-UHFFFAOYSA-N
XLogP3.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanone
CID 103125118
(2-fluorophenyl)-(1-methylindazol-3-yl)methanone
CID 103124147
1-(1-methylindazol-3-yl)-3-phenylpropane-1,3-dione
CID 103119110
N-(3-bromo-4-fluorophenyl)-1-methylindazole-3-carboxamide
CID 103118370
(2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone
CID 103125146
N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide
CID 103116278
(3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone
CID 103125238
N-(2-fluoro-4-methylphenyl)-1-methylindazole-3-carboxamide
CID 71794697
1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 107996468
1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone
CID 24937693
3-(1-methylindazole-3-carbonyl)pentane-2,4-dione
CID 103119426
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone (CID 103124566) is (3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone is Cn1nc(C(=O)c2ccc(F)c(F)c2)c2ccccc21.
What is the InChIKey of (3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone?
The InChIKey is ZQTZRTFKJBFESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O/c1-19-13-5-3-2-4-10(13)14(18-19)15(20)9-6-7-11(16)12(17)8-9/h2-8H,1H3.
What are the key properties of (3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone?
(3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone has a molecular weight of 272.25 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 103124566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).