2-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]chromen-4-one

C16H10F3NO3 — CID 172773424

IUPAC2-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]chromen-4-one
SMILESO=c1cc(OCc2cncc(C(F)(F)F)c2)oc2ccccc12
InChIInChI=1S/C16H10F3NO3/c17-16(18,19)11-5-10(7-20-8-11)9-22-15-6-13(21)12-3-1-2-4-14(12)23-15/h1-8H,9H2
InChIKeyNGOHODSHOQZRPP-UHFFFAOYSA-N
MW321.25 g/mol
LogP3.79
Rot. Bonds3

About 2-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]chromen-4-one

2-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]chromen-4-one (PubChem CID 172773424) has the molecular formula C16H10F3NO3 and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]chromen-4-one.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]chromen-4-one
PubChem CID172773424
Molecular FormulaC16H10F3NO3
Molecular Weight321.25 g/mol
Exact Mass321.06
IUPAC Name2-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]chromen-4-one
SMILESO=c1cc(OCc2cncc(C(F)(F)F)c2)oc2ccccc12
InChIInChI=1S/C16H10F3NO3/c17-16(18,19)11-5-10(7-20-8-11)9-22-15-6-13(21)12-3-1-2-4-14(12)23-15/h1-8H,9H2
InChIKeyNGOHODSHOQZRPP-UHFFFAOYSA-N
XLogP3.79
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethoxy]chromen-4-one
CID 172690956
2-propoxychromen-4-one
CID 19038250
4-[[3-(fluoromethyl)phenyl]methoxy]-3-[[3-(trifluoromethyl)phenyl]methyl]chromen-2-one
CID 88887235
1-[[1-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 69343981
2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one
CID 118987389
(4-oxochromen-2-yl) acetate
CID 119083337
2-(hydroxymethyl)chromen-4-one
CID 12536095
3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile
CID 104797275
6-nitro-2-(2,2,2-trifluoroethoxy)chromen-4-one
CID 163366356
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
CID 17014479
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4-oxochromene-2-carboxylate
CID 2102651
CID 123329918
CID 123329918

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]chromen-4-one?
The IUPAC name of 2-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]chromen-4-one (CID 172773424) is 2-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]chromen-4-one.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]chromen-4-one?
The canonical SMILES for 2-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]chromen-4-one is O=c1cc(OCc2cncc(C(F)(F)F)c2)oc2ccccc12.
What is the InChIKey of 2-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]chromen-4-one?
The InChIKey is NGOHODSHOQZRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO3/c17-16(18,19)11-5-10(7-20-8-11)9-22-15-6-13(21)12-3-1-2-4-14(12)23-15/h1-8H,9H2.
What are the key properties of 2-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]chromen-4-one?
2-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]chromen-4-one has a molecular weight of 321.25 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]chromen-4-one is sourced from PubChem (CID 172773424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).