(1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride

C7H11Cl3N2 — CID 75524979

IUPAC(1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride
SMILESC[C@@H](N)c1ccc(Cl)cn1.Cl.Cl
InChIInChI=1S/C7H9ClN2.2ClH/c1-5(9)7-3-2-6(8)4-10-7;;/h2-5H,9H2,1H3;2*1H/t5-;;/m1../s1
InChIKeyZMXJVLOGPBMATF-ZJIMSODOSA-N
MW229.54 g/mol
LogP2.60
Rot. Bonds1

About (1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride

(1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride (PubChem CID 75524979) has the molecular formula C7H11Cl3N2 and a molecular weight of 229.54 g/mol. Its IUPAC name is (1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride
PubChem CID75524979
Molecular FormulaC7H11Cl3N2
Molecular Weight229.54 g/mol
Exact Mass228.00
IUPAC Name(1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride
SMILESC[C@@H](N)c1ccc(Cl)cn1.Cl.Cl
InChIInChI=1S/C7H9ClN2.2ClH/c1-5(9)7-3-2-6(8)4-10-7;;/h2-5H,9H2,1H3;2*1H/t5-;;/m1../s1
InChIKeyZMXJVLOGPBMATF-ZJIMSODOSA-N
XLogP2.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.54
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride
CID 139490132
3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine
CID 63197527
1-[5-(4-chlorophenyl)sulfanyl-2-pyridinyl]ethanamine
CID 83123718
1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride
CID 127263938
(1R)-1-(5-chloro-2-pyridinyl)ethanol
CID 75356463
2-(1-bromoethyl)-5-chloropyridine
CID 58279845
1-[5-(2,5-dichlorophenyl)sulfanyl-2-pyridinyl]ethanamine
CID 83123407
1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethanamine
CID 138109393
(1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol
CID 130863797
1-[5-(2-bromo-4-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83123280
6-[(1R)-1-aminoethyl]-N,N-dimethylpyridin-3-amine
CID 83122052
(1S)-1-[5-(3-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83127697

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride?
The IUPAC name of (1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride (CID 75524979) is (1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride.
What is the SMILES notation for (1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride?
The canonical SMILES for (1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride is C[C@@H](N)c1ccc(Cl)cn1.Cl.Cl.
What is the InChIKey of (1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride?
The InChIKey is ZMXJVLOGPBMATF-ZJIMSODOSA-N. The full InChI is InChI=1S/C7H9ClN2.2ClH/c1-5(9)7-3-2-6(8)4-10-7;;/h2-5H,9H2,1H3;2*1H/t5-;;/m1../s1.
What are the key properties of (1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride?
(1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride has a molecular weight of 229.54 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride is sourced from PubChem (CID 75524979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).