(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine

C8H11ClN2 — CID 55278839

IUPAC(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN2/c1-2-7(10)6-3-4-8(9)11-5-6/h3-5,7H,2,10H2,1H3/t7-/m1/s1
InChIKeyDZSJJOYTFQQMIU-SSDOTTSWSA-N
MW170.64 g/mol
LogP2.14
Rot. Bonds2

About (1R)-1-(6-chloro-3-pyridinyl)propan-1-amine

(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine (PubChem CID 55278839) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is (1R)-1-(6-chloro-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
PubChem CID55278839
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN2/c1-2-7(10)6-3-4-8(9)11-5-6/h3-5,7H,2,10H2,1H3/t7-/m1/s1
InChIKeyDZSJJOYTFQQMIU-SSDOTTSWSA-N
XLogP2.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.14
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-(6-chloro-3-pyridinyl)butan-1-amine
CID 131097718
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine
CID 130606280
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218295
5-[(1S)-1-aminopropyl]pyridin-2-amine
CID 124502752
1-(6-chloro-3-pyridinyl)-2-methoxyethanamine
CID 55272792
2-chloro-5-pentan-3-ylpyridine
CID 134459618
(1R)-1-(6-chloro-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171198788
(1S)-1-(6-chloro-3-pyridinyl)-3-methylbut-3-en-1-amine
CID 131057518
ethyl (3S)-3-amino-3-(6-chloro-3-pyridinyl)propanoate
CID 171218331
(1S)-1-(6-chloro-3-pyridinyl)butane-1,4-diamine
CID 171218298
5-[(1S)-1-aminopropyl]-N-ethyl-N-methylpyridin-2-amine
CID 124502810
1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130041973

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-chloro-3-pyridinyl)propan-1-amine?
The IUPAC name of (1R)-1-(6-chloro-3-pyridinyl)propan-1-amine (CID 55278839) is (1R)-1-(6-chloro-3-pyridinyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(6-chloro-3-pyridinyl)propan-1-amine?
The canonical SMILES for (1R)-1-(6-chloro-3-pyridinyl)propan-1-amine is CC[C@@H](N)c1ccc(Cl)nc1.
What is the InChIKey of (1R)-1-(6-chloro-3-pyridinyl)propan-1-amine?
The InChIKey is DZSJJOYTFQQMIU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-2-7(10)6-3-4-8(9)11-5-6/h3-5,7H,2,10H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-(6-chloro-3-pyridinyl)propan-1-amine?
(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine has a molecular weight of 170.64 g/mol, XLogP of 2.14, 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-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 55278839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).