N-(1,3-benzodioxol-5-yl)-5-bromo-N,3-dimethylpyridin-2-amine

C14H13BrN2O2 — CID 115148495

IUPACN-(1,3-benzodioxol-5-yl)-5-bromo-N,3-dimethylpyridin-2-amine
SMILESCc1cc(Br)cnc1N(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H13BrN2O2/c1-9-5-10(15)7-16-14(9)17(2)11-3-4-12-13(6-11)19-8-18-12/h3-7H,8H2,1-2H3
InChIKeyIKVDINOBOOZGCE-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.65
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-5-bromo-N,3-dimethylpyridin-2-amine

N-(1,3-benzodioxol-5-yl)-5-bromo-N,3-dimethylpyridin-2-amine (PubChem CID 115148495) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-bromo-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-bromo-N,3-dimethylpyridin-2-amine
PubChem CID115148495
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-bromo-N,3-dimethylpyridin-2-amine
SMILESCc1cc(Br)cnc1N(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H13BrN2O2/c1-9-5-10(15)7-16-14(9)17(2)11-3-4-12-13(6-11)19-8-18-12/h3-7H,8H2,1-2H3
InChIKeyIKVDINOBOOZGCE-UHFFFAOYSA-N
XLogP3.65
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147885
5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine
CID 115148484
5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine
CID 115148547
5-bromo-N-(4-ethylsulfanylphenyl)-N,3-dimethylpyridin-2-amine
CID 115148526
4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide
CID 79718865
2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine
CID 63868415
5-bromo-N-tert-butyl-N,3-dimethylpyridin-2-amine
CID 115148475
5-bromo-N-(2-methoxy-5-methylphenyl)-N,3-dimethylpyridin-2-amine
CID 115148485
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpyridin-2-amine
CID 84604425
2-N-(3,4-dimethylphenyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147871
[5-bromo-2-(N,3-dimethylanilino)-3-pyridinyl]methanol
CID 62000367
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine
CID 62293883

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-bromo-N,3-dimethylpyridin-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-bromo-N,3-dimethylpyridin-2-amine (CID 115148495) is N-(1,3-benzodioxol-5-yl)-5-bromo-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-bromo-N,3-dimethylpyridin-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-bromo-N,3-dimethylpyridin-2-amine is Cc1cc(Br)cnc1N(C)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-bromo-N,3-dimethylpyridin-2-amine?
The InChIKey is IKVDINOBOOZGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-9-5-10(15)7-16-14(9)17(2)11-3-4-12-13(6-11)19-8-18-12/h3-7H,8H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-bromo-N,3-dimethylpyridin-2-amine?
N-(1,3-benzodioxol-5-yl)-5-bromo-N,3-dimethylpyridin-2-amine has a molecular weight of 321.17 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-bromo-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 115148495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).