(1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride

C10H17BrClN3 — CID 171222997

IUPAC(1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@H](N)c1ccnc(Br)c1
InChIInChI=1S/C10H16BrN3.ClH/c11-10-7-8(4-6-14-10)9(13)3-1-2-5-12;/h4,6-7,9H,1-3,5,12-13H2;1H/t9-;/m0./s1
InChIKeyRIKNLVAGSUUKJZ-FVGYRXGTSA-N
MW294.62 g/mol
LogP2.39
Rot. Bonds5

About (1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride

(1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride (PubChem CID 171222997) has the molecular formula C10H17BrClN3 and a molecular weight of 294.62 g/mol. Its IUPAC name is (1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride
PubChem CID171222997
Molecular FormulaC10H17BrClN3
Molecular Weight294.62 g/mol
Exact Mass293.03
IUPAC Name(1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@H](N)c1ccnc(Br)c1
InChIInChI=1S/C10H16BrN3.ClH/c11-10-7-8(4-6-14-10)9(13)3-1-2-5-12;/h4,6-7,9H,1-3,5,12-13H2;1H/t9-;/m0./s1
InChIKeyRIKNLVAGSUUKJZ-FVGYRXGTSA-N
XLogP2.39
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.62
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride
CID 171203436
(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride
CID 171200265
(1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313619
(1S)-1-(2-bromo-4-pyridinyl)but-3-en-1-amine
CID 87531117
(1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride
CID 171240805
(1S)-1-(2-bromo-4-pyridinyl)-3-methylbut-3-en-1-amine
CID 130987039
2-(2-bromo-4-pyridinyl)propan-1-amine
CID 87304996
(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171210029
(1S)-1-pyridin-3-ylpentane-1,5-diamine;hydrochloride
CID 171221036
1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine
CID 130059138
(1R)-1-(3,4-dimethylphenyl)pentane-1,5-diamine;hydrochloride
CID 171200476
2,6-dibromo-4-[(1S)-1,5-diaminopentyl]phenol;hydrochloride
CID 171219511

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride?
The IUPAC name of (1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride (CID 171222997) is (1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride.
What is the SMILES notation for (1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride?
The canonical SMILES for (1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride is Cl.NCCCC[C@H](N)c1ccnc(Br)c1.
What is the InChIKey of (1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride?
The InChIKey is RIKNLVAGSUUKJZ-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H16BrN3.ClH/c11-10-7-8(4-6-14-10)9(13)3-1-2-5-12;/h4,6-7,9H,1-3,5,12-13H2;1H/t9-;/m0./s1.
What are the key properties of (1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride?
(1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride has a molecular weight of 294.62 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride is sourced from PubChem (CID 171222997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).