3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine

C12H12BrN3O — CID 104795924

IUPAC3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine
SMILESCc1ccc(OCc2cncc(Br)c2)c(N)n1
InChIInChI=1S/C12H12BrN3O/c1-8-2-3-11(12(14)16-8)17-7-9-4-10(13)6-15-5-9/h2-6H,7H2,1H3,(H2,14,16)
InChIKeyQBJWDYDCNRHMOL-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.71
Rot. Bonds3

About 3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine

3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine (PubChem CID 104795924) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine
PubChem CID104795924
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine
SMILESCc1ccc(OCc2cncc(Br)c2)c(N)n1
InChIInChI=1S/C12H12BrN3O/c1-8-2-3-11(12(14)16-8)17-7-9-4-10(13)6-15-5-9/h2-6H,7H2,1H3,(H2,14,16)
InChIKeyQBJWDYDCNRHMOL-UHFFFAOYSA-N
XLogP2.71
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Related Compounds

6-methyl-3-[(5-methyl-3-pyridinyl)methoxy]pyridin-2-amine
CID 102880225
3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine
CID 115580431
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
3-[(5-bromo-3-pyridinyl)methoxy]-4-chloroaniline
CID 104795936
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492
2-[(5-bromo-3-pyridinyl)methoxy]-3-methylaniline
CID 113454032
2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine
CID 104807611
(1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol
CID 104798701
3-ethoxy-6-methylpyridin-2-amine
CID 54057030
3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
3-bromo-5-[(4-iodophenoxy)methyl]pyridine
CID 115582275
3-[(2,5-dimethylphenyl)methoxy]-6-methylpyridin-2-amine
CID 2735321

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine (CID 104795924) is 3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine is Cc1ccc(OCc2cncc(Br)c2)c(N)n1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine?
The InChIKey is QBJWDYDCNRHMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-2-3-11(12(14)16-8)17-7-9-4-10(13)6-15-5-9/h2-6H,7H2,1H3,(H2,14,16).
What are the key properties of 3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine?
3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine has a molecular weight of 294.15 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine is sourced from PubChem (CID 104795924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).