6-bromo-4-methyl-2-pyridin-3-ylquinoline

C15H11BrN2 — CID 44569172

IUPAC6-bromo-4-methyl-2-pyridin-3-ylquinoline
SMILESCc1cc(-c2cccnc2)nc2ccc(Br)cc12
InChIInChI=1S/C15H11BrN2/c1-10-7-15(11-3-2-6-17-9-11)18-14-5-4-12(16)8-13(10)14/h2-9H,1H3
InChIKeyFTTJROUNFXNASR-UHFFFAOYSA-N
MW299.17 g/mol
LogP4.37
Rot. Bonds1

About 6-bromo-4-methyl-2-pyridin-3-ylquinoline

6-bromo-4-methyl-2-pyridin-3-ylquinoline (PubChem CID 44569172) has the molecular formula C15H11BrN2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 6-bromo-4-methyl-2-pyridin-3-ylquinoline.

Molecular Properties

Compound Name6-bromo-4-methyl-2-pyridin-3-ylquinoline
PubChem CID44569172
Molecular FormulaC15H11BrN2
Molecular Weight299.17 g/mol
Exact Mass298.01
IUPAC Name6-bromo-4-methyl-2-pyridin-3-ylquinoline
SMILESCc1cc(-c2cccnc2)nc2ccc(Br)cc12
InChIInChI=1S/C15H11BrN2/c1-10-7-15(11-3-2-6-17-9-11)18-14-5-4-12(16)8-13(10)14/h2-9H,1H3
InChIKeyFTTJROUNFXNASR-UHFFFAOYSA-N
XLogP4.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-2-pyridin-3-ylquinoline?
The IUPAC name of 6-bromo-4-methyl-2-pyridin-3-ylquinoline (CID 44569172) is 6-bromo-4-methyl-2-pyridin-3-ylquinoline.
What is the SMILES notation for 6-bromo-4-methyl-2-pyridin-3-ylquinoline?
The canonical SMILES for 6-bromo-4-methyl-2-pyridin-3-ylquinoline is Cc1cc(-c2cccnc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-methyl-2-pyridin-3-ylquinoline?
The InChIKey is FTTJROUNFXNASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2/c1-10-7-15(11-3-2-6-17-9-11)18-14-5-4-12(16)8-13(10)14/h2-9H,1H3.
What are the key properties of 6-bromo-4-methyl-2-pyridin-3-ylquinoline?
6-bromo-4-methyl-2-pyridin-3-ylquinoline has a molecular weight of 299.17 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-2-pyridin-3-ylquinoline is sourced from PubChem (CID 44569172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).