5-bromo-6-methylpyridin-2-amine;N,N,6-trimethyl-5-oxoboranylpyridin-2-amine

C14H18BBrN4O — CID 158047700

IUPAC5-bromo-6-methylpyridin-2-amine;N,N,6-trimethyl-5-oxoboranylpyridin-2-amine
SMILESCc1nc(N(C)C)ccc1B=O.Cc1nc(N)ccc1Br
InChIInChI=1S/C8H11BN2O.C6H7BrN2/c1-6-7(9-12)4-5-8(10-6)11(2)3;1-4-5(7)2-3-6(8)9-4/h4-5H,1-3H3;2-3H,1H3,(H2,8,9)
InChIKeyFJCNOVYIQAYENN-UHFFFAOYSA-N
MW349.04 g/mol
LogP1.87
Rot. Bonds2

About 5-bromo-6-methylpyridin-2-amine;N,N,6-trimethyl-5-oxoboranylpyridin-2-amine

5-bromo-6-methylpyridin-2-amine;N,N,6-trimethyl-5-oxoboranylpyridin-2-amine (PubChem CID 158047700) has the molecular formula C14H18BBrN4O and a molecular weight of 349.04 g/mol. Its IUPAC name is 5-bromo-6-methylpyridin-2-amine;N,N,6-trimethyl-5-oxoboranylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-methylpyridin-2-amine;N,N,6-trimethyl-5-oxoboranylpyridin-2-amine
PubChem CID158047700
Molecular FormulaC14H18BBrN4O
Molecular Weight349.04 g/mol
Exact Mass348.08
IUPAC Name5-bromo-6-methylpyridin-2-amine;N,N,6-trimethyl-5-oxoboranylpyridin-2-amine
SMILESCc1nc(N(C)C)ccc1B=O.Cc1nc(N)ccc1Br
InChIInChI=1S/C8H11BN2O.C6H7BrN2/c1-6-7(9-12)4-5-8(10-6)11(2)3;1-4-5(7)2-3-6(8)9-4/h4-5H,1-3H3;2-3H,1H3,(H2,8,9)
InChIKeyFJCNOVYIQAYENN-UHFFFAOYSA-N
XLogP1.87
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.04
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-bromo-6-methylpyridin-2-amine;N,N,6-trimethyl-5-oxoboranylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-Pyridinamine, 5-bromo-6-methyl-
CID 170678
2-(2-((5-Bromo-2-pyridyl)amino)vinyl)-1-ethyl-6-methylpyridinium iodide
CID 6451275
Quaternium 51
CID 53424039
3-bromo-N-ethyl-6-methyl-N-(propan-2-yl)pyridin-2-amine
CID 165906227
2-bromo-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine
CID 102031817
N,N'-di(6-methyl-2-pyridyl)formamidine
CID 12983876
3-(5-Bromo-6-methyl-2-pyridinyl)-1-methyl-1-(2-methylprop-2-enyl)urea
CID 86800110
(8aS)-N-(5-bromo-6-methyl-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 99822598
CID 6451276
CID 6451276
3-Bromo-6-(4,4-difluoropiperidin-1-yl)-2-(trifluoromethyl)pyridine
CID 146525899
5-Bromo-6-(4,4-difluoropiperidin-1-yl)pyridin-2-amine
CID 169091957
5-bromo-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine
CID 169116611

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methylpyridin-2-amine;N,N,6-trimethyl-5-oxoboranylpyridin-2-amine?
The IUPAC name of 5-bromo-6-methylpyridin-2-amine;N,N,6-trimethyl-5-oxoboranylpyridin-2-amine (CID 158047700) is 5-bromo-6-methylpyridin-2-amine;N,N,6-trimethyl-5-oxoboranylpyridin-2-amine.
What is the SMILES notation for 5-bromo-6-methylpyridin-2-amine;N,N,6-trimethyl-5-oxoboranylpyridin-2-amine?
The canonical SMILES for 5-bromo-6-methylpyridin-2-amine;N,N,6-trimethyl-5-oxoboranylpyridin-2-amine is Cc1nc(N(C)C)ccc1B=O.Cc1nc(N)ccc1Br.
What is the InChIKey of 5-bromo-6-methylpyridin-2-amine;N,N,6-trimethyl-5-oxoboranylpyridin-2-amine?
The InChIKey is FJCNOVYIQAYENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BN2O.C6H7BrN2/c1-6-7(9-12)4-5-8(10-6)11(2)3;1-4-5(7)2-3-6(8)9-4/h4-5H,1-3H3;2-3H,1H3,(H2,8,9).
What are the key properties of 5-bromo-6-methylpyridin-2-amine;N,N,6-trimethyl-5-oxoboranylpyridin-2-amine?
5-bromo-6-methylpyridin-2-amine;N,N,6-trimethyl-5-oxoboranylpyridin-2-amine has a molecular weight of 349.04 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methylpyridin-2-amine;N,N,6-trimethyl-5-oxoboranylpyridin-2-amine is sourced from PubChem (CID 158047700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).