6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one

C14H10BrNO2 — CID 10780793

IUPAC6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccnc2)Oc2ccc(Br)cc21
InChIInChI=1S/C14H10BrNO2/c15-10-3-4-13-11(6-10)12(17)7-14(18-13)9-2-1-5-16-8-9/h1-6,8,14H,7H2
InChIKeyHPIKEKWGPKDJPK-UHFFFAOYSA-N
MW304.14 g/mol
LogP3.55
Rot. Bonds1

About 6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one

6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one (PubChem CID 10780793) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is 6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one
PubChem CID10780793
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccnc2)Oc2ccc(Br)cc21
InChIInChI=1S/C14H10BrNO2/c15-10-3-4-13-11(6-10)12(17)7-14(18-13)9-2-1-5-16-8-9/h1-6,8,14H,7H2
InChIKeyHPIKEKWGPKDJPK-UHFFFAOYSA-N
XLogP3.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one (CID 10780793) is 6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one is O=C1CC(c2cccnc2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one?
The InChIKey is HPIKEKWGPKDJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2/c15-10-3-4-13-11(6-10)12(17)7-14(18-13)9-2-1-5-16-8-9/h1-6,8,14H,7H2.
What are the key properties of 6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one?
6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one has a molecular weight of 304.14 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 10780793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).