6-bromo-3-methyl-2-pyridin-4-ylchromen-4-one

C15H10BrNO2 — CID 2098000

IUPAC6-bromo-3-methyl-2-pyridin-4-ylchromen-4-one
SMILESCc1c(-c2ccncc2)oc2ccc(Br)cc2c1=O
InChIInChI=1S/C15H10BrNO2/c1-9-14(18)12-8-11(16)2-3-13(12)19-15(9)10-4-6-17-7-5-10/h2-8H,1H3
InChIKeyBTDYTRDAYPUUMA-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.93
Rot. Bonds1

About 6-bromo-3-methyl-2-pyridin-4-ylchromen-4-one

6-bromo-3-methyl-2-pyridin-4-ylchromen-4-one (PubChem CID 2098000) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 6-bromo-3-methyl-2-pyridin-4-ylchromen-4-one.

Molecular Properties

Compound Name6-bromo-3-methyl-2-pyridin-4-ylchromen-4-one
PubChem CID2098000
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name6-bromo-3-methyl-2-pyridin-4-ylchromen-4-one
SMILESCc1c(-c2ccncc2)oc2ccc(Br)cc2c1=O
InChIInChI=1S/C15H10BrNO2/c1-9-14(18)12-8-11(16)2-3-13(12)19-15(9)10-4-6-17-7-5-10/h2-8H,1H3
InChIKeyBTDYTRDAYPUUMA-UHFFFAOYSA-N
XLogP3.93
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-2-pyridin-4-ylchromen-4-one?
The IUPAC name of 6-bromo-3-methyl-2-pyridin-4-ylchromen-4-one (CID 2098000) is 6-bromo-3-methyl-2-pyridin-4-ylchromen-4-one.
What is the SMILES notation for 6-bromo-3-methyl-2-pyridin-4-ylchromen-4-one?
The canonical SMILES for 6-bromo-3-methyl-2-pyridin-4-ylchromen-4-one is Cc1c(-c2ccncc2)oc2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-3-methyl-2-pyridin-4-ylchromen-4-one?
The InChIKey is BTDYTRDAYPUUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2/c1-9-14(18)12-8-11(16)2-3-13(12)19-15(9)10-4-6-17-7-5-10/h2-8H,1H3.
What are the key properties of 6-bromo-3-methyl-2-pyridin-4-ylchromen-4-one?
6-bromo-3-methyl-2-pyridin-4-ylchromen-4-one has a molecular weight of 316.15 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-2-pyridin-4-ylchromen-4-one is sourced from PubChem (CID 2098000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).