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

C14H10BrNO2 — CID 10709595

IUPAC6-bromo-2-pyridin-2-yl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccccn2)Oc2ccc(Br)cc21
InChIInChI=1S/C14H10BrNO2/c15-9-4-5-13-10(7-9)12(17)8-14(18-13)11-3-1-2-6-16-11/h1-7,14H,8H2
InChIKeyQFZZQUZYNXDRTE-UHFFFAOYSA-N
MW304.14 g/mol
LogP3.55
Rot. Bonds1

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

6-bromo-2-pyridin-2-yl-2,3-dihydrochromen-4-one (PubChem CID 10709595) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is 6-bromo-2-pyridin-2-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-bromo-2-pyridin-2-yl-2,3-dihydrochromen-4-one
PubChem CID10709595
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name6-bromo-2-pyridin-2-yl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccccn2)Oc2ccc(Br)cc21
InChIInChI=1S/C14H10BrNO2/c15-9-4-5-13-10(7-9)12(17)8-14(18-13)11-3-1-2-6-16-11/h1-7,14H,8H2
InChIKeyQFZZQUZYNXDRTE-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-2-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-bromo-2-pyridin-2-yl-2,3-dihydrochromen-4-one (CID 10709595) is 6-bromo-2-pyridin-2-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-bromo-2-pyridin-2-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-bromo-2-pyridin-2-yl-2,3-dihydrochromen-4-one is O=C1CC(c2ccccn2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-pyridin-2-yl-2,3-dihydrochromen-4-one?
The InChIKey is QFZZQUZYNXDRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2/c15-9-4-5-13-10(7-9)12(17)8-14(18-13)11-3-1-2-6-16-11/h1-7,14H,8H2.
What are the key properties of 6-bromo-2-pyridin-2-yl-2,3-dihydrochromen-4-one?
6-bromo-2-pyridin-2-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-2-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 10709595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).