(1R)-1-pyridin-3-ylethanamine;hydrochloride

C7H11ClN2 — CID 53487230

IUPAC(1R)-1-pyridin-3-ylethanamine;hydrochloride
SMILESC[C@@H](N)c1cccnc1.Cl
InChIInChI=1S/C7H10N2.ClH/c1-6(8)7-3-2-4-9-5-7;/h2-6H,8H2,1H3;1H/t6-;/m1./s1
InChIKeyQCVFPKSPGIISLL-FYZOBXCZSA-N
MW158.63 g/mol
LogP1.52
Rot. Bonds1

About (1R)-1-pyridin-3-ylethanamine;hydrochloride

(1R)-1-pyridin-3-ylethanamine;hydrochloride (PubChem CID 53487230) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is (1R)-1-pyridin-3-ylethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-pyridin-3-ylethanamine;hydrochloride
PubChem CID53487230
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name(1R)-1-pyridin-3-ylethanamine;hydrochloride
SMILESC[C@@H](N)c1cccnc1.Cl
InChIInChI=1S/C7H10N2.ClH/c1-6(8)7-3-2-4-9-5-7;/h2-6H,8H2,1H3;1H/t6-;/m1./s1
InChIKeyQCVFPKSPGIISLL-FYZOBXCZSA-N
XLogP1.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
3-[(1S)-1-chloroethyl]pyridine;hydrochloride
CID 171991541
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
amino(pyridin-3-yl)methanethiol
CID 116939546
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773

Frequently Asked Questions

What is the IUPAC name of (1R)-1-pyridin-3-ylethanamine;hydrochloride?
The IUPAC name of (1R)-1-pyridin-3-ylethanamine;hydrochloride (CID 53487230) is (1R)-1-pyridin-3-ylethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-pyridin-3-ylethanamine;hydrochloride?
The canonical SMILES for (1R)-1-pyridin-3-ylethanamine;hydrochloride is C[C@@H](N)c1cccnc1.Cl.
What is the InChIKey of (1R)-1-pyridin-3-ylethanamine;hydrochloride?
The InChIKey is QCVFPKSPGIISLL-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H10N2.ClH/c1-6(8)7-3-2-4-9-5-7;/h2-6H,8H2,1H3;1H/t6-;/m1./s1.
What are the key properties of (1R)-1-pyridin-3-ylethanamine;hydrochloride?
(1R)-1-pyridin-3-ylethanamine;hydrochloride has a molecular weight of 158.63 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-pyridin-3-ylethanamine;hydrochloride is sourced from PubChem (CID 53487230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).