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

C12H12BrN3 — CID 104811386

IUPAC3-[(5-bromo-3-pyridinyl)methyl]-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(Cc2cncc(Br)c2)c1
InChIInChI=1S/C12H12BrN3/c1-8-2-10(12(14)16-5-8)3-9-4-11(13)7-15-6-9/h2,4-7H,3H2,1H3,(H2,14,16)
InChIKeySIGDTAIYWYGCJX-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.72
Rot. Bonds2

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

3-[(5-bromo-3-pyridinyl)methyl]-5-methylpyridin-2-amine (PubChem CID 104811386) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)methyl]-5-methylpyridin-2-amine
PubChem CID104811386
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name3-[(5-bromo-3-pyridinyl)methyl]-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(Cc2cncc(Br)c2)c1
InChIInChI=1S/C12H12BrN3/c1-8-2-10(12(14)16-5-8)3-9-4-11(13)7-15-6-9/h2,4-7H,3H2,1H3,(H2,14,16)
InChIKeySIGDTAIYWYGCJX-UHFFFAOYSA-N
XLogP2.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(fluoromethyl)-5-methylpyridin-2-amine
CID 135298839
2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 104803955
2-(5-bromo-3-pyridinyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 104803789
[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methanamine
CID 104811795
3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine
CID 65318608
5-bromo-3-(methoxymethyl)pyridin-2-amine
CID 84682381
3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine
CID 104810425
3-[(5-bromo-3-pyridinyl)methoxy]-6-methylpyridin-2-amine
CID 104795924
2-[(5-bromo-3-pyridinyl)methoxy]-3-methylaniline
CID 113454032
5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 114223006
3-(ethoxymethyl)-5-methylpyridin-2-amine
CID 79568919
3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine
CID 79761192

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)methyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)methyl]-5-methylpyridin-2-amine (CID 104811386) is 3-[(5-bromo-3-pyridinyl)methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)methyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)methyl]-5-methylpyridin-2-amine is Cc1cnc(N)c(Cc2cncc(Br)c2)c1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)methyl]-5-methylpyridin-2-amine?
The InChIKey is SIGDTAIYWYGCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-8-2-10(12(14)16-5-8)3-9-4-11(13)7-15-6-9/h2,4-7H,3H2,1H3,(H2,14,16).
What are the key properties of 3-[(5-bromo-3-pyridinyl)methyl]-5-methylpyridin-2-amine?
3-[(5-bromo-3-pyridinyl)methyl]-5-methylpyridin-2-amine has a molecular weight of 278.15 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-pyridinyl)methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 104811386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).