5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine

C15H15BrN2O — CID 104507282

IUPAC5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(Oc2ccc3c(c2)CCC3)c1Br
InChIInChI=1S/C15H15BrN2O/c1-9-13(17)8-18-15(14(9)16)19-12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4,17H2,1H3
InChIKeyBXBCKVNLDQKNBA-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.02
Rot. Bonds2

About 5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine

5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine (PubChem CID 104507282) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine
PubChem CID104507282
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(Oc2ccc3c(c2)CCC3)c1Br
InChIInChI=1S/C15H15BrN2O/c1-9-13(17)8-18-15(14(9)16)19-12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4,17H2,1H3
InChIKeyBXBCKVNLDQKNBA-UHFFFAOYSA-N
XLogP4.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine?
The IUPAC name of 5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine (CID 104507282) is 5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine?
The canonical SMILES for 5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine is Cc1c(N)cnc(Oc2ccc3c(c2)CCC3)c1Br.
What is the InChIKey of 5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine?
The InChIKey is BXBCKVNLDQKNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-9-13(17)8-18-15(14(9)16)19-12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4,17H2,1H3.
What are the key properties of 5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine?
5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine has a molecular weight of 319.20 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine is sourced from PubChem (CID 104507282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).