(1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride

C8H9Cl3N2 — CID 171203557

IUPAC(1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1ccc(Cl)nc1Cl.Cl
InChIInChI=1S/C8H8Cl2N2.ClH/c1-2-6(11)5-3-4-7(9)12-8(5)10;/h2-4,6H,1,11H2;1H/t6-;/m1./s1
InChIKeyXIGGCQQJWQMLAA-FYZOBXCZSA-N
MW239.53 g/mol
LogP3.00
Rot. Bonds2

About (1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride

(1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride (PubChem CID 171203557) has the molecular formula C8H9Cl3N2 and a molecular weight of 239.53 g/mol. Its IUPAC name is (1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride
PubChem CID171203557
Molecular FormulaC8H9Cl3N2
Molecular Weight239.53 g/mol
Exact Mass237.98
IUPAC Name(1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1ccc(Cl)nc1Cl.Cl
InChIInChI=1S/C8H8Cl2N2.ClH/c1-2-6(11)5-3-4-7(9)12-8(5)10;/h2-4,6H,1,11H2;1H/t6-;/m1./s1
InChIKeyXIGGCQQJWQMLAA-FYZOBXCZSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(2,6-dichloro-3-pyridinyl)-2-fluoroethanamine
CID 130613098
(1S)-1-(2,6-dichloro-3-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171223118
(1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride
CID 171223124
(1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine
CID 55273929
(1S)-1-(2,6-dichloro-3-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171312995
(1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol
CID 130618256
(1S)-1-(4-chloro-2-methylphenyl)prop-2-en-1-amine;hydrochloride
CID 171231441
(1S)-1-(2,6-difluoro-3-pyridinyl)prop-2-en-1-amine
CID 55292187
2,6-dichloro-3-ethenylpyridine
CID 90062240
(1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171203034
1-(2-chloro-5-fluorophenyl)prop-2-en-1-amine
CID 55271189
(1R)-1-(3-chlorothiophen-2-yl)prop-2-en-1-amine;hydrochloride
CID 171203185

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride (CID 171203557) is (1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride is C=C[C@@H](N)c1ccc(Cl)nc1Cl.Cl.
What is the InChIKey of (1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride?
The InChIKey is XIGGCQQJWQMLAA-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H8Cl2N2.ClH/c1-2-6(11)5-3-4-7(9)12-8(5)10;/h2-4,6H,1,11H2;1H/t6-;/m1./s1.
What are the key properties of (1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride?
(1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride has a molecular weight of 239.53 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 171203557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).