2-(2-bromo-4-pyridinyl)propan-1-amine

C8H11BrN2 — CID 87304996

IUPAC2-(2-bromo-4-pyridinyl)propan-1-amine
SMILESCC(CN)c1ccnc(Br)c1
InChIInChI=1S/C8H11BrN2/c1-6(5-10)7-2-3-11-8(9)4-7/h2-4,6H,5,10H2,1H3
InChIKeyNISRZQPLLABZDD-UHFFFAOYSA-N
MW215.09 g/mol
LogP1.91
Rot. Bonds2

About 2-(2-bromo-4-pyridinyl)propan-1-amine

2-(2-bromo-4-pyridinyl)propan-1-amine (PubChem CID 87304996) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 2-(2-bromo-4-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-bromo-4-pyridinyl)propan-1-amine
PubChem CID87304996
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name2-(2-bromo-4-pyridinyl)propan-1-amine
SMILESCC(CN)c1ccnc(Br)c1
InChIInChI=1S/C8H11BrN2/c1-6(5-10)7-2-3-11-8(9)4-7/h2-4,6H,5,10H2,1H3
InChIKeyNISRZQPLLABZDD-UHFFFAOYSA-N
XLogP1.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[4-(1-aminopropan-2-yl)-2-pyridinyl]methanol
CID 84765095
[(1R)-1-(2-bromo-4-pyridinyl)ethyl]azanium chloride
CID 89251843
(1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol
CID 130973088
1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine
CID 130059138
5-(1-aminopropan-2-yl)-2-bromoaniline
CID 84692433
(1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride
CID 171222997
(1S)-1-(2-bromo-4-pyridinyl)-3-methylbut-3-en-1-amine
CID 130987039
(1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride
CID 171203436
(1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride
CID 171240805
(2S)-2-(4-bromophenyl)propan-1-amine
CID 23566380
(1S)-1-(2-bromo-4-pyridinyl)but-3-en-1-amine
CID 87531117
(1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313619

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-pyridinyl)propan-1-amine?
The IUPAC name of 2-(2-bromo-4-pyridinyl)propan-1-amine (CID 87304996) is 2-(2-bromo-4-pyridinyl)propan-1-amine.
What is the SMILES notation for 2-(2-bromo-4-pyridinyl)propan-1-amine?
The canonical SMILES for 2-(2-bromo-4-pyridinyl)propan-1-amine is CC(CN)c1ccnc(Br)c1.
What is the InChIKey of 2-(2-bromo-4-pyridinyl)propan-1-amine?
The InChIKey is NISRZQPLLABZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-6(5-10)7-2-3-11-8(9)4-7/h2-4,6H,5,10H2,1H3.
What are the key properties of 2-(2-bromo-4-pyridinyl)propan-1-amine?
2-(2-bromo-4-pyridinyl)propan-1-amine has a molecular weight of 215.09 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-pyridinyl)propan-1-amine is sourced from PubChem (CID 87304996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).