(1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride

C8H13BrClN3 — CID 171222954

IUPAC(1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride
SMILESCl.NCC[C@H](N)c1cccc(Br)n1
InChIInChI=1S/C8H12BrN3.ClH/c9-8-3-1-2-7(12-8)6(11)4-5-10;/h1-3,6H,4-5,10-11H2;1H/t6-;/m0./s1
InChIKeyHZKALCIOOVKNKO-RGMNGODLSA-N
MW266.57 g/mol
LogP1.61
Rot. Bonds3

About (1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride

(1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride (PubChem CID 171222954) has the molecular formula C8H13BrClN3 and a molecular weight of 266.57 g/mol. Its IUPAC name is (1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride
PubChem CID171222954
Molecular FormulaC8H13BrClN3
Molecular Weight266.57 g/mol
Exact Mass265.00
IUPAC Name(1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride
SMILESCl.NCC[C@H](N)c1cccc(Br)n1
InChIInChI=1S/C8H12BrN3.ClH/c9-8-3-1-2-7(12-8)6(11)4-5-10;/h1-3,6H,4-5,10-11H2;1H/t6-;/m0./s1
InChIKeyHZKALCIOOVKNKO-RGMNGODLSA-N
XLogP1.61
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.57
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171222972
(1R)-1-(6-bromo-2-pyridinyl)-4-methylpentan-1-amine;hydrochloride
CID 171203416
(1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride
CID 171203412
2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride
CID 121347573
(1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171203397
(1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203392
(1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine
CID 130606678
(1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride
CID 171222960
(1R,2S)-1-(6-bromo-2-pyridinyl)propane-1,2-diamine
CID 130806151
(1R)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine;hydrochloride
CID 171210678
(1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine
CID 130835904
(1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine
CID 171230275

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride?
The IUPAC name of (1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride (CID 171222954) is (1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for (1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for (1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride is Cl.NCC[C@H](N)c1cccc(Br)n1.
What is the InChIKey of (1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride?
The InChIKey is HZKALCIOOVKNKO-RGMNGODLSA-N. The full InChI is InChI=1S/C8H12BrN3.ClH/c9-8-3-1-2-7(12-8)6(11)4-5-10;/h1-3,6H,4-5,10-11H2;1H/t6-;/m0./s1.
What are the key properties of (1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride?
(1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride has a molecular weight of 266.57 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 171222954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).