2-pyridin-4-ylsulfanylchromen-4-one

C14H9NO2S — CID 175167725

IUPAC2-pyridin-4-ylsulfanylchromen-4-one
SMILESO=c1cc(Sc2ccncc2)oc2ccccc12
InChIInChI=1S/C14H9NO2S/c16-12-9-14(18-10-5-7-15-8-6-10)17-13-4-2-1-3-11(12)13/h1-9H
InChIKeyGZJBPYLSBYZTFU-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.34
Rot. Bonds2

About 2-pyridin-4-ylsulfanylchromen-4-one

2-pyridin-4-ylsulfanylchromen-4-one (PubChem CID 175167725) has the molecular formula C14H9NO2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-pyridin-4-ylsulfanylchromen-4-one.

Molecular Properties

Compound Name2-pyridin-4-ylsulfanylchromen-4-one
PubChem CID175167725
Molecular FormulaC14H9NO2S
Molecular Weight255.30 g/mol
Exact Mass255.04
IUPAC Name2-pyridin-4-ylsulfanylchromen-4-one
SMILESO=c1cc(Sc2ccncc2)oc2ccccc12
InChIInChI=1S/C14H9NO2S/c16-12-9-14(18-10-5-7-15-8-6-10)17-13-4-2-1-3-11(12)13/h1-9H
InChIKeyGZJBPYLSBYZTFU-UHFFFAOYSA-N
XLogP3.34
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylsulfanylchromen-4-one?
The IUPAC name of 2-pyridin-4-ylsulfanylchromen-4-one (CID 175167725) is 2-pyridin-4-ylsulfanylchromen-4-one.
What is the SMILES notation for 2-pyridin-4-ylsulfanylchromen-4-one?
The canonical SMILES for 2-pyridin-4-ylsulfanylchromen-4-one is O=c1cc(Sc2ccncc2)oc2ccccc12.
What is the InChIKey of 2-pyridin-4-ylsulfanylchromen-4-one?
The InChIKey is GZJBPYLSBYZTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2S/c16-12-9-14(18-10-5-7-15-8-6-10)17-13-4-2-1-3-11(12)13/h1-9H.
What are the key properties of 2-pyridin-4-ylsulfanylchromen-4-one?
2-pyridin-4-ylsulfanylchromen-4-one has a molecular weight of 255.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylsulfanylchromen-4-one is sourced from PubChem (CID 175167725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).