3-fluoro-6-pyrazol-1-ylchromen-4-one

C12H7FN2O2 — CID 146169460

IUPAC3-fluoro-6-pyrazol-1-ylchromen-4-one
SMILESO=c1c(F)coc2ccc(-n3cccn3)cc12
InChIInChI=1S/C12H7FN2O2/c13-10-7-17-11-3-2-8(6-9(11)12(10)16)15-5-1-4-14-15/h1-7H
InChIKeyNNBXRPJCMHJVCR-UHFFFAOYSA-N
MW230.20 g/mol
LogP2.12
Rot. Bonds1

About 3-fluoro-6-pyrazol-1-ylchromen-4-one

3-fluoro-6-pyrazol-1-ylchromen-4-one (PubChem CID 146169460) has the molecular formula C12H7FN2O2 and a molecular weight of 230.20 g/mol. Its IUPAC name is 3-fluoro-6-pyrazol-1-ylchromen-4-one.

Molecular Properties

Compound Name3-fluoro-6-pyrazol-1-ylchromen-4-one
PubChem CID146169460
Molecular FormulaC12H7FN2O2
Molecular Weight230.20 g/mol
Exact Mass230.05
IUPAC Name3-fluoro-6-pyrazol-1-ylchromen-4-one
SMILESO=c1c(F)coc2ccc(-n3cccn3)cc12
InChIInChI=1S/C12H7FN2O2/c13-10-7-17-11-3-2-8(6-9(11)12(10)16)15-5-1-4-14-15/h1-7H
InChIKeyNNBXRPJCMHJVCR-UHFFFAOYSA-N
XLogP2.12
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-pyrazol-1-ylchromen-4-one?
The IUPAC name of 3-fluoro-6-pyrazol-1-ylchromen-4-one (CID 146169460) is 3-fluoro-6-pyrazol-1-ylchromen-4-one.
What is the SMILES notation for 3-fluoro-6-pyrazol-1-ylchromen-4-one?
The canonical SMILES for 3-fluoro-6-pyrazol-1-ylchromen-4-one is O=c1c(F)coc2ccc(-n3cccn3)cc12.
What is the InChIKey of 3-fluoro-6-pyrazol-1-ylchromen-4-one?
The InChIKey is NNBXRPJCMHJVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O2/c13-10-7-17-11-3-2-8(6-9(11)12(10)16)15-5-1-4-14-15/h1-7H.
What are the key properties of 3-fluoro-6-pyrazol-1-ylchromen-4-one?
3-fluoro-6-pyrazol-1-ylchromen-4-one has a molecular weight of 230.20 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-pyrazol-1-ylchromen-4-one is sourced from PubChem (CID 146169460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).