6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one

C13H11FN2O2 — CID 114672192

IUPAC6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
SMILESCn1cc(C2CC(=O)c3cc(F)ccc3O2)cn1
InChIInChI=1S/C13H11FN2O2/c1-16-7-8(6-15-16)13-5-11(17)10-4-9(14)2-3-12(10)18-13/h2-4,6-7,13H,5H2,1H3
InChIKeyWFYXMUQBRCOLGL-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.27
Rot. Bonds1

About 6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one

6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one (PubChem CID 114672192) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
PubChem CID114672192
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
SMILESCn1cc(C2CC(=O)c3cc(F)ccc3O2)cn1
InChIInChI=1S/C13H11FN2O2/c1-16-7-8(6-15-16)13-5-11(17)10-4-9(14)2-3-12(10)18-13/h2-4,6-7,13H,5H2,1H3
InChIKeyWFYXMUQBRCOLGL-UHFFFAOYSA-N
XLogP2.27
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114674787
6-chloro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672943
6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114674030
6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 103573832
6-bromo-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 103573834
(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-fluoro-2,3-dihydrochromen-4-one
CID 692769
(2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one
CID 7016138
6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
CID 114671977
6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one
CID 114672243
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one
CID 114672012
6-chloro-2-(3,5-difluorophenyl)-2,3-dihydrochromen-4-one
CID 106534728

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one (CID 114672192) is 6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one is Cn1cc(C2CC(=O)c3cc(F)ccc3O2)cn1.
What is the InChIKey of 6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one?
The InChIKey is WFYXMUQBRCOLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-16-7-8(6-15-16)13-5-11(17)10-4-9(14)2-3-12(10)18-13/h2-4,6-7,13H,5H2,1H3.
What are the key properties of 6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one?
6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one has a molecular weight of 246.24 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114672192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).