1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride

C8H12BrClN2 — CID 170894346

IUPAC1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1ncccc1Br.Cl
InChIInChI=1S/C8H11BrN2.ClH/c1-6(10)5-8-7(9)3-2-4-11-8;/h2-4,6H,5,10H2,1H3;1H
InChIKeyYDGBRCHUKZBSOL-UHFFFAOYSA-N
MW251.55 g/mol
LogP2.16
Rot. Bonds2

About 1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride

1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride (PubChem CID 170894346) has the molecular formula C8H12BrClN2 and a molecular weight of 251.55 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride
PubChem CID170894346
Molecular FormulaC8H12BrClN2
Molecular Weight251.55 g/mol
Exact Mass249.99
IUPAC Name1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1ncccc1Br.Cl
InChIInChI=1S/C8H11BrN2.ClH/c1-6(10)5-8-7(9)3-2-4-11-8;/h2-4,6H,5,10H2,1H3;1H
InChIKeyYDGBRCHUKZBSOL-UHFFFAOYSA-N
XLogP2.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.55
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-(3-bromo-2-methylbutyl)pyridine
CID 130576080
2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol
CID 130576237
3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine
CID 130576837
2-amino-3-(3-bromo-2-pyridinyl)propanamide
CID 130575756
3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine
CID 63203575
4-(3-bromo-2-pyridinyl)butan-2-ol
CID 130576069
4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine
CID 130589412
1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol
CID 130575838
3-bromo-2-(2-chloropentyl)pyridine
CID 63203121
1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 115982350
2-(3-bromo-2-pyridinyl)-1-cyclopropyl-N-methylethanamine
CID 63353363
(2R)-1-pyrimidin-2-ylpropan-2-amine
CID 95028657

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride (CID 170894346) is 1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride is CC(N)Cc1ncccc1Br.Cl.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride?
The InChIKey is YDGBRCHUKZBSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2.ClH/c1-6(10)5-8-7(9)3-2-4-11-8;/h2-4,6H,5,10H2,1H3;1H.
What are the key properties of 1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride?
1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride has a molecular weight of 251.55 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 170894346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).