[1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride

C10H15Cl2N3 — CID 23369489

IUPAC[1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1c1cccc(Cl)n1
InChIInChI=1S/C10H14ClN3.ClH/c11-9-4-1-5-10(13-9)14-6-2-3-8(14)7-12;/h1,4-5,8H,2-3,6-7,12H2;1H
InChIKeyJXHNYHSUTZRRMP-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.08
Rot. Bonds2

About [1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride

[1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 23369489) has the molecular formula C10H15Cl2N3 and a molecular weight of 248.16 g/mol. Its IUPAC name is [1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID23369489
Molecular FormulaC10H15Cl2N3
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name[1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1c1cccc(Cl)n1
InChIInChI=1S/C10H14ClN3.ClH/c11-9-4-1-5-10(13-9)14-6-2-3-8(14)7-12;/h1,4-5,8H,2-3,6-7,12H2;1H
InChIKeyJXHNYHSUTZRRMP-UHFFFAOYSA-N
XLogP2.08
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.08
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

[1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 71644668
[1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71644669
2-[1-(6-chloro-2-pyridinyl)piperidin-2-yl]ethanol
CID 63586332
[(2R)-1-(4-chloropyrimidin-2-yl)piperidin-2-yl]methanamine
CID 97165385
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71638307
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 16643268
[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-yl]methanamine
CID 113284583
[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanamine
CID 71643169
4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64830681
[1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279291
[1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine
CID 62593155
2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide
CID 113284612

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride (CID 23369489) is [1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCN1c1cccc(Cl)n1.
What is the InChIKey of [1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is JXHNYHSUTZRRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3.ClH/c11-9-4-1-5-10(13-9)14-6-2-3-8(14)7-12;/h1,4-5,8H,2-3,6-7,12H2;1H.
What are the key properties of [1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride?
[1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 248.16 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 23369489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).