(1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine

C8H9ClN2 — CID 55273929

IUPAC(1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cccc(Cl)n1
InChIInChI=1S/C8H9ClN2/c1-2-6(10)7-4-3-5-8(9)11-7/h2-6H,1,10H2/t6-/m1/s1
InChIKeyDVSGCJJIIHNEKA-ZCFIWIBFSA-N
MW168.63 g/mol
LogP1.92
Rot. Bonds2

About (1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine

(1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine (PubChem CID 55273929) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is (1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine
PubChem CID55273929
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name(1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cccc(Cl)n1
InChIInChI=1S/C8H9ClN2/c1-2-6(10)7-4-3-5-8(9)11-7/h2-6H,1,10H2/t6-/m1/s1
InChIKeyDVSGCJJIIHNEKA-ZCFIWIBFSA-N
XLogP1.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 51.92
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'}

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Related Compounds

1-(6-chloro-2-pyridinyl)but-3-en-1-amine
CID 55294039
(1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine
CID 130619604
(1S)-1-(6-ethenyl-2-pyridinyl)prop-2-en-1-amine
CID 74891770
(1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride
CID 171222960
6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde
CID 55293225
(1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol
CID 55271430
(1R)-1-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride
CID 171203557
1-(5-chloro-6-methoxy-2-pyridinyl)prop-2-en-1-amine
CID 159613032
1-(6-chloro-2-pyridinyl)-2-methoxyethanamine
CID 55272790
3-amino-3-(6-chloro-2-pyridinyl)propanenitrile
CID 55294253
2-amino-1-(6-chloro-2-pyridinyl)ethanol
CID 14578852
methyl 2-amino-2-(6-chloro-2-pyridinyl)acetate
CID 130119542

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine (CID 55273929) is (1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine is C=C[C@@H](N)c1cccc(Cl)n1.
What is the InChIKey of (1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine?
The InChIKey is DVSGCJJIIHNEKA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-2-6(10)7-4-3-5-8(9)11-7/h2-6H,1,10H2/t6-/m1/s1.
What are the key properties of (1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine?
(1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine has a molecular weight of 168.63 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine is sourced from PubChem (CID 55273929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).