3-[(4-bromo-2,3-dimethylpyrrol-1-yl)methyl]pyridin-2-amine

C12H14BrN3 — CID 176927661

IUPAC3-[(4-bromo-2,3-dimethylpyrrol-1-yl)methyl]pyridin-2-amine
SMILESCc1c(Br)cn(Cc2cccnc2N)c1C
InChIInChI=1S/C12H14BrN3/c1-8-9(2)16(7-11(8)13)6-10-4-3-5-15-12(10)14/h3-5,7H,6H2,1-2H3,(H2,14,15)
InChIKeyJYBOMPKGUIIZTL-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.89
Rot. Bonds2

About 3-[(4-bromo-2,3-dimethylpyrrol-1-yl)methyl]pyridin-2-amine

3-[(4-bromo-2,3-dimethylpyrrol-1-yl)methyl]pyridin-2-amine (PubChem CID 176927661) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 3-[(4-bromo-2,3-dimethylpyrrol-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(4-bromo-2,3-dimethylpyrrol-1-yl)methyl]pyridin-2-amine
PubChem CID176927661
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name3-[(4-bromo-2,3-dimethylpyrrol-1-yl)methyl]pyridin-2-amine
SMILESCc1c(Br)cn(Cc2cccnc2N)c1C
InChIInChI=1S/C12H14BrN3/c1-8-9(2)16(7-11(8)13)6-10-4-3-5-15-12(10)14/h3-5,7H,6H2,1-2H3,(H2,14,15)
InChIKeyJYBOMPKGUIIZTL-UHFFFAOYSA-N
XLogP2.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine
CID 176927746
3-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine
CID 62465807
1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one
CID 80583349
1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one
CID 62464183
3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine
CID 62464912
8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline
CID 63926675
1-[(2-amino-3-pyridinyl)methyl]-5-bromo-3-nitropyridin-2-one
CID 55075626
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567
1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile
CID 114652377
3-(piperidin-1-ylmethyl)pyridin-2-amine
CID 18771814
3-[(3-bromoindol-1-yl)methyl]-2-methylaniline
CID 62805729
3-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62469656

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2,3-dimethylpyrrol-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-[(4-bromo-2,3-dimethylpyrrol-1-yl)methyl]pyridin-2-amine (CID 176927661) is 3-[(4-bromo-2,3-dimethylpyrrol-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(4-bromo-2,3-dimethylpyrrol-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(4-bromo-2,3-dimethylpyrrol-1-yl)methyl]pyridin-2-amine is Cc1c(Br)cn(Cc2cccnc2N)c1C.
What is the InChIKey of 3-[(4-bromo-2,3-dimethylpyrrol-1-yl)methyl]pyridin-2-amine?
The InChIKey is JYBOMPKGUIIZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8-9(2)16(7-11(8)13)6-10-4-3-5-15-12(10)14/h3-5,7H,6H2,1-2H3,(H2,14,15).
What are the key properties of 3-[(4-bromo-2,3-dimethylpyrrol-1-yl)methyl]pyridin-2-amine?
3-[(4-bromo-2,3-dimethylpyrrol-1-yl)methyl]pyridin-2-amine has a molecular weight of 280.17 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2,3-dimethylpyrrol-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 176927661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).