6,8-dichloro-2-pyridin-3-ylchromen-4-one

C14H7Cl2NO2 — CID 12921001

IUPAC6,8-dichloro-2-pyridin-3-ylchromen-4-one
SMILESO=c1cc(-c2cccnc2)oc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C14H7Cl2NO2/c15-9-4-10-12(18)6-13(8-2-1-3-17-7-8)19-14(10)11(16)5-9/h1-7H
InChIKeyJWFPDCFZJXCRRE-UHFFFAOYSA-N
MW292.12 g/mol
LogP4.16
Rot. Bonds1

About 6,8-dichloro-2-pyridin-3-ylchromen-4-one

6,8-dichloro-2-pyridin-3-ylchromen-4-one (PubChem CID 12921001) has the molecular formula C14H7Cl2NO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 6,8-dichloro-2-pyridin-3-ylchromen-4-one.

Molecular Properties

Compound Name6,8-dichloro-2-pyridin-3-ylchromen-4-one
PubChem CID12921001
Molecular FormulaC14H7Cl2NO2
Molecular Weight292.12 g/mol
Exact Mass290.99
IUPAC Name6,8-dichloro-2-pyridin-3-ylchromen-4-one
SMILESO=c1cc(-c2cccnc2)oc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C14H7Cl2NO2/c15-9-4-10-12(18)6-13(8-2-1-3-17-7-8)19-14(10)11(16)5-9/h1-7H
InChIKeyJWFPDCFZJXCRRE-UHFFFAOYSA-N
XLogP4.16
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-pyridin-3-ylchromen-4-one?
The IUPAC name of 6,8-dichloro-2-pyridin-3-ylchromen-4-one (CID 12921001) is 6,8-dichloro-2-pyridin-3-ylchromen-4-one.
What is the SMILES notation for 6,8-dichloro-2-pyridin-3-ylchromen-4-one?
The canonical SMILES for 6,8-dichloro-2-pyridin-3-ylchromen-4-one is O=c1cc(-c2cccnc2)oc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 6,8-dichloro-2-pyridin-3-ylchromen-4-one?
The InChIKey is JWFPDCFZJXCRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO2/c15-9-4-10-12(18)6-13(8-2-1-3-17-7-8)19-14(10)11(16)5-9/h1-7H.
What are the key properties of 6,8-dichloro-2-pyridin-3-ylchromen-4-one?
6,8-dichloro-2-pyridin-3-ylchromen-4-one has a molecular weight of 292.12 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-pyridin-3-ylchromen-4-one is sourced from PubChem (CID 12921001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).