(1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride

C8H11Cl3N2 — CID 171223124

IUPAC(1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1ccc(Cl)nc1Cl.Cl
InChIInChI=1S/C8H10Cl2N2.ClH/c1-2-6(11)5-3-4-7(9)12-8(5)10;/h3-4,6H,2,11H2,1H3;1H/t6-;/m0./s1
InChIKeyWUMGAQZVVFHDGM-RGMNGODLSA-N
MW241.55 g/mol
LogP3.22
Rot. Bonds2

About (1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride

(1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride (PubChem CID 171223124) has the molecular formula C8H11Cl3N2 and a molecular weight of 241.55 g/mol. Its IUPAC name is (1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride
PubChem CID171223124
Molecular FormulaC8H11Cl3N2
Molecular Weight241.55 g/mol
Exact Mass240.00
IUPAC Name(1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1ccc(Cl)nc1Cl.Cl
InChIInChI=1S/C8H10Cl2N2.ClH/c1-2-6(11)5-3-4-7(9)12-8(5)10;/h3-4,6H,2,11H2,1H3;1H/t6-;/m0./s1
InChIKeyWUMGAQZVVFHDGM-RGMNGODLSA-N
XLogP3.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.55
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2,6-dichloro-3-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171223118
(1S)-1-(2,6-dichloro-3-pyridinyl)-2-fluoroethanamine
CID 130613098
(1S)-1-(2,6-dichloro-3-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171312995
ethyl (3S)-3-amino-3-(2,6-dichloro-3-pyridinyl)propanoate
CID 171223154
(1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol
CID 130618256
(1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride
CID 171203557
diethyl 2-(2,6-dichloro-3-pyridinyl)propanedioate
CID 153378550
1-(4-chloropyrimidin-2-yl)propan-1-amine
CID 87642451
(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171211834
ethyl (3R)-3-amino-3-(2,6-dichloro-3-pyridinyl)-2,2-difluoropropanoate
CID 171240861
(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
CID 55278839
1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305239

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride (CID 171223124) is (1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride is CC[C@H](N)c1ccc(Cl)nc1Cl.Cl.
What is the InChIKey of (1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride?
The InChIKey is WUMGAQZVVFHDGM-RGMNGODLSA-N. The full InChI is InChI=1S/C8H10Cl2N2.ClH/c1-2-6(11)5-3-4-7(9)12-8(5)10;/h3-4,6H,2,11H2,1H3;1H/t6-;/m0./s1.
What are the key properties of (1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride?
(1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride has a molecular weight of 241.55 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171223124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).