3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine

C14H13BrN2O2 — CID 84604430

IUPAC3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine
SMILESCc1cnc(Nc2ccc3c(c2)OCCO3)c(Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-9-6-11(15)14(16-8-9)17-10-2-3-12-13(7-10)19-5-4-18-12/h2-3,6-8H,4-5H2,1H3,(H,16,17)
InChIKeyVHAONMOPCIHRBT-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.67
Rot. Bonds2

About 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine

3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine (PubChem CID 84604430) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine
PubChem CID84604430
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine
SMILESCc1cnc(Nc2ccc3c(c2)OCCO3)c(Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-9-6-11(15)14(16-8-9)17-10-2-3-12-13(7-10)19-5-4-18-12/h2-3,6-8H,4-5H2,1H3,(H,16,17)
InChIKeyVHAONMOPCIHRBT-UHFFFAOYSA-N
XLogP3.67
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpyridin-2-amine
CID 84604425
3-bromo-5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridin-2-amine
CID 114836561
N-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine
CID 114836575
3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine
CID 105367615
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine
CID 79915694
5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
CID 105367590
3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine
CID 84609267
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 22530519
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-methylpyrimidine-4,5,6-triamine
CID 19135035
3-bromo-N-(3-ethylphenyl)-5-methylpyridin-2-amine
CID 105367623
4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5,6-triamine
CID 19146453
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359455

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine (CID 84604430) is 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine is Cc1cnc(Nc2ccc3c(c2)OCCO3)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine?
The InChIKey is VHAONMOPCIHRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-9-6-11(15)14(16-8-9)17-10-2-3-12-13(7-10)19-5-4-18-12/h2-3,6-8H,4-5H2,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine?
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine has a molecular weight of 321.17 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine is sourced from PubChem (CID 84604430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).