1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]ethanamine

C12H14BrN3 — CID 104801316

IUPAC1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]ethanamine
SMILESCC(N)c1ccn(Cc2ccc(Br)cn2)c1
InChIInChI=1S/C12H14BrN3/c1-9(14)10-4-5-16(7-10)8-12-3-2-11(13)6-15-12/h2-7,9H,8,14H2,1H3
InChIKeyYEXAXNDAGKBMRJ-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.71
Rot. Bonds3

About 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]ethanamine

1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]ethanamine (PubChem CID 104801316) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]ethanamine
PubChem CID104801316
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]ethanamine
SMILESCC(N)c1ccn(Cc2ccc(Br)cn2)c1
InChIInChI=1S/C12H14BrN3/c1-9(14)10-4-5-16(7-10)8-12-3-2-11(13)6-15-12/h2-7,9H,8,14H2,1H3
InChIKeyYEXAXNDAGKBMRJ-UHFFFAOYSA-N
XLogP2.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]-N-ethylpropan-1-amine
CID 104801330
1-[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]ethanamine
CID 104801318
1-[1-(quinolin-2-ylmethyl)pyrrol-3-yl]ethanamine
CID 79102695
[1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 106718140
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethanamine
CID 79102287
1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine
CID 79102391
1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]ethanamine
CID 79101803
[1-(5-bromo-2-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105199530
1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-3-yl]ethanamine
CID 79102092
5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 104809156
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine
CID 79103080
1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]ethanamine
CID 114346672

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]ethanamine?
The IUPAC name of 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]ethanamine (CID 104801316) is 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]ethanamine is CC(N)c1ccn(Cc2ccc(Br)cn2)c1.
What is the InChIKey of 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]ethanamine?
The InChIKey is YEXAXNDAGKBMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-9(14)10-4-5-16(7-10)8-12-3-2-11(13)6-15-12/h2-7,9H,8,14H2,1H3.
What are the key properties of 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]ethanamine?
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]ethanamine has a molecular weight of 280.17 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]ethanamine is sourced from PubChem (CID 104801316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).