(1S)-1-(2,6-dichloro-3-pyridinyl)-2-fluoroethanamine

C7H7Cl2FN2 — CID 130613098

IUPAC(1S)-1-(2,6-dichloro-3-pyridinyl)-2-fluoroethanamine
SMILESN[C@H](CF)c1ccc(Cl)nc1Cl
InChIInChI=1S/C7H7Cl2FN2/c8-6-2-1-4(5(11)3-10)7(9)12-6/h1-2,5H,3,11H2/t5-/m1/s1
InChIKeyKPJUMHCPHKRSMH-RXMQYKEDSA-N
MW209.05 g/mol
LogP2.36
Rot. Bonds2

About (1S)-1-(2,6-dichloro-3-pyridinyl)-2-fluoroethanamine

(1S)-1-(2,6-dichloro-3-pyridinyl)-2-fluoroethanamine (PubChem CID 130613098) has the molecular formula C7H7Cl2FN2 and a molecular weight of 209.05 g/mol. Its IUPAC name is (1S)-1-(2,6-dichloro-3-pyridinyl)-2-fluoroethanamine.

Molecular Properties

Compound Name(1S)-1-(2,6-dichloro-3-pyridinyl)-2-fluoroethanamine
PubChem CID130613098
Molecular FormulaC7H7Cl2FN2
Molecular Weight209.05 g/mol
Exact Mass208.00
IUPAC Name(1S)-1-(2,6-dichloro-3-pyridinyl)-2-fluoroethanamine
SMILESN[C@H](CF)c1ccc(Cl)nc1Cl
InChIInChI=1S/C7H7Cl2FN2/c8-6-2-1-4(5(11)3-10)7(9)12-6/h1-2,5H,3,11H2/t5-/m1/s1
InChIKeyKPJUMHCPHKRSMH-RXMQYKEDSA-N
XLogP2.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 52.36
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)-3,3-difluoropropan-1-amine;hydrochloride
CID 171312995
(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-(2,6-dichloro-3-pyridinyl)prop-2-en-1-amine;hydrochloride
CID 171203557
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-(6-chloro-3-pyridinyl)-2-fluoroethanamine
CID 130606280
ethyl (3R)-3-amino-3-(2,6-dichloro-3-pyridinyl)-2,2-difluoropropanoate
CID 171240861
diethyl 2-(2,6-dichloro-3-pyridinyl)propanedioate
CID 153378550
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218295
(1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine
CID 124706908
(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218336

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,6-dichloro-3-pyridinyl)-2-fluoroethanamine?
The IUPAC name of (1S)-1-(2,6-dichloro-3-pyridinyl)-2-fluoroethanamine (CID 130613098) is (1S)-1-(2,6-dichloro-3-pyridinyl)-2-fluoroethanamine.
What is the SMILES notation for (1S)-1-(2,6-dichloro-3-pyridinyl)-2-fluoroethanamine?
The canonical SMILES for (1S)-1-(2,6-dichloro-3-pyridinyl)-2-fluoroethanamine is N[C@H](CF)c1ccc(Cl)nc1Cl.
What is the InChIKey of (1S)-1-(2,6-dichloro-3-pyridinyl)-2-fluoroethanamine?
The InChIKey is KPJUMHCPHKRSMH-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H7Cl2FN2/c8-6-2-1-4(5(11)3-10)7(9)12-6/h1-2,5H,3,11H2/t5-/m1/s1.
What are the key properties of (1S)-1-(2,6-dichloro-3-pyridinyl)-2-fluoroethanamine?
(1S)-1-(2,6-dichloro-3-pyridinyl)-2-fluoroethanamine has a molecular weight of 209.05 g/mol, XLogP of 2.36, 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)-2-fluoroethanamine is sourced from PubChem (CID 130613098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).