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

C9H14BrClN2 — CID 170889228

IUPAC1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cccnc1Br.Cl
InChIInChI=1S/C9H13BrN2.ClH/c1-2-8(11)6-7-4-3-5-12-9(7)10;/h3-5,8H,2,6,11H2,1H3;1H
InChIKeyUIWVRWHPELEGOT-UHFFFAOYSA-N
MW265.58 g/mol
LogP2.55
Rot. Bonds3

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

1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride (PubChem CID 170889228) has the molecular formula C9H14BrClN2 and a molecular weight of 265.58 g/mol. Its IUPAC name is 1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride
PubChem CID170889228
Molecular FormulaC9H14BrClN2
Molecular Weight265.58 g/mol
Exact Mass264.00
IUPAC Name1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cccnc1Br.Cl
InChIInChI=1S/C9H13BrN2.ClH/c1-2-8(11)6-7-4-3-5-12-9(7)10;/h3-5,8H,2,6,11H2,1H3;1H
InChIKeyUIWVRWHPELEGOT-UHFFFAOYSA-N
XLogP2.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.58
LogP ≤ 52.55
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

1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]butan-2-amine;hydrochloride
CID 170889418
1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]butan-2-amine
CID 114866429
1-[2-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]butan-2-amine
CID 114057597
3-(2-aminobutyl)-N-ethyl-N-(2-methylpropyl)pyridin-2-amine
CID 114057368
3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62893783
1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine
CID 103694453
3-(3-aminopentyl)pyridin-2-amine
CID 64505573
1-[2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine
CID 114057347
2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 63786813
1-(3-bromo-2-propoxyphenyl)butan-2-amine
CID 61392389
1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine
CID 55118280
1-[3-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]butan-2-amine
CID 114530916

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride (CID 170889228) is 1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride is CCC(N)Cc1cccnc1Br.Cl.
What is the InChIKey of 1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride?
The InChIKey is UIWVRWHPELEGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2.ClH/c1-2-8(11)6-7-4-3-5-12-9(7)10;/h3-5,8H,2,6,11H2,1H3;1H.
What are the key properties of 1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride?
1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride has a molecular weight of 265.58 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170889228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).