1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-amine;hydrochloride

C10H15BrClN3 — CID 71644404

IUPAC1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(Cc2ccnc(Br)c2)C1
InChIInChI=1S/C10H14BrN3.ClH/c11-10-5-8(1-3-13-10)6-14-4-2-9(12)7-14;/h1,3,5,9H,2,4,6-7,12H2;1H
InChIKeyCIQNDJRJIYJFGT-UHFFFAOYSA-N
MW292.61 g/mol
LogP1.80
Rot. Bonds2

About 1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-amine;hydrochloride

1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 71644404) has the molecular formula C10H15BrClN3 and a molecular weight of 292.61 g/mol. Its IUPAC name is 1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID71644404
Molecular FormulaC10H15BrClN3
Molecular Weight292.61 g/mol
Exact Mass291.01
IUPAC Name1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(Cc2ccnc(Br)c2)C1
InChIInChI=1S/C10H14BrN3.ClH/c11-10-5-8(1-3-13-10)6-14-4-2-9(12)7-14;/h1,3,5,9H,2,4,6-7,12H2;1H
InChIKeyCIQNDJRJIYJFGT-UHFFFAOYSA-N
XLogP1.80
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.61
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 97169730
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 75994008
(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 53256327
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 62068422
4-[(3-aminopiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63882954
(3R)-1-[(3-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 131002740
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115301915
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
3-[(3-aminopyrrolidin-1-yl)methyl]phenol
CID 22966382

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-amine;hydrochloride (CID 71644404) is 1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(Cc2ccnc(Br)c2)C1.
What is the InChIKey of 1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is CIQNDJRJIYJFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3.ClH/c11-10-5-8(1-3-13-10)6-14-4-2-9(12)7-14;/h1,3,5,9H,2,4,6-7,12H2;1H.
What are the key properties of 1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-amine;hydrochloride?
1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 292.61 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71644404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).