(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride

C7H9Cl2FN2 — CID 171218295

IUPAC(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1ccc(Cl)nc1
InChIInChI=1S/C7H8ClFN2.ClH/c8-7-2-1-5(4-11-7)6(10)3-9;/h1-2,4,6H,3,10H2;1H/t6-;/m0./s1
InChIKeyLLWATRCVXXEABZ-RGMNGODLSA-N
MW211.07 g/mol
LogP2.13
Rot. Bonds2

About (1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride

(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride (PubChem CID 171218295) has the molecular formula C7H9Cl2FN2 and a molecular weight of 211.07 g/mol. Its IUPAC name is (1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride
PubChem CID171218295
Molecular FormulaC7H9Cl2FN2
Molecular Weight211.07 g/mol
Exact Mass210.01
IUPAC Name(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1ccc(Cl)nc1
InChIInChI=1S/C7H8ClFN2.ClH/c8-7-2-1-5(4-11-7)6(10)3-9;/h1-2,4,6H,3,10H2;1H/t6-;/m0./s1
InChIKeyLLWATRCVXXEABZ-RGMNGODLSA-N
XLogP2.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.07
LogP ≤ 52.13
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

(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine
CID 130606280
(1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171198796
(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
CID 55278839
(1R)-1-(6-chloro-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171198788
(1S)-1-(6-chloro-3-pyridinyl)butan-1-amine
CID 131097718
(1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
CID 171198793
(1S)-1-(6-bromo-3-pyridinyl)-2-fluoroethanamine
CID 130701542
1-(6-chloro-3-pyridinyl)-2-methoxyethanamine
CID 55272792
(1S)-1-(6-chloro-3-pyridinyl)butane-1,4-diamine
CID 171218298
(1S)-1-(6-chloro-3-pyridinyl)-3-methylbut-3-en-1-amine
CID 131057518
(1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 97290350
1-(4-chlorophenyl)-2-fluoroethanamine
CID 83816513

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride?
The IUPAC name of (1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride (CID 171218295) is (1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride is Cl.N[C@@H](CF)c1ccc(Cl)nc1.
What is the InChIKey of (1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride?
The InChIKey is LLWATRCVXXEABZ-RGMNGODLSA-N. The full InChI is InChI=1S/C7H8ClFN2.ClH/c8-7-2-1-5(4-11-7)6(10)3-9;/h1-2,4,6H,3,10H2;1H/t6-;/m0./s1.
What are the key properties of (1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride?
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride has a molecular weight of 211.07 g/mol, XLogP of 2.13, 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)-2-fluoroethanamine;hydrochloride is sourced from PubChem (CID 171218295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).