[5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine

C10H12BrN3 — CID 130625562

IUPAC[5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine
SMILESNCc1cc(Br)cnc1N1CC=CC1
InChIInChI=1S/C10H12BrN3/c11-9-5-8(6-12)10(13-7-9)14-3-1-2-4-14/h1-2,5,7H,3-4,6,12H2
InChIKeySNEDSVFQFPJWAI-UHFFFAOYSA-N
MW254.13 g/mol
LogP1.68
Rot. Bonds2

About [5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine

[5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine (PubChem CID 130625562) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is [5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine
PubChem CID130625562
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name[5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine
SMILESNCc1cc(Br)cnc1N1CC=CC1
InChIInChI=1S/C10H12BrN3/c11-9-5-8(6-12)10(13-7-9)14-3-1-2-4-14/h1-2,5,7H,3-4,6,12H2
InChIKeySNEDSVFQFPJWAI-UHFFFAOYSA-N
XLogP1.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine
CID 130548423
[5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 104960830
[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62285532
[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62285485
[5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine
CID 102967838
[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 63170938
(5-bromo-2-indazol-1-yl-3-pyridinyl)methanamine
CID 55059121
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-bromo-3-pyridinyl]methanamine
CID 102728419
[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62299979
N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 62285747
5-bromo-3-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 55155359
5-bromo-3-butyl-2-(3-methylazetidin-1-yl)pyridine
CID 134591561

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine (CID 130625562) is [5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine is NCc1cc(Br)cnc1N1CC=CC1.
What is the InChIKey of [5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine?
The InChIKey is SNEDSVFQFPJWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c11-9-5-8(6-12)10(13-7-9)14-3-1-2-4-14/h1-2,5,7H,3-4,6,12H2.
What are the key properties of [5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine?
[5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine has a molecular weight of 254.13 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 130625562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).