(1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine

C7H6ClF3N2 — CID 97290350

IUPAC(1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
SMILESN[C@@H](c1ccc(Cl)nc1)C(F)(F)F
InChIInChI=1S/C7H6ClF3N2/c8-5-2-1-4(3-13-5)6(12)7(9,10)11/h1-3,6H,12H2/t6-/m0/s1
InChIKeyGPBZCFDSOKVWFP-LURJTMIESA-N
MW210.59 g/mol
LogP2.30
Rot. Bonds1

About (1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine

(1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine (PubChem CID 97290350) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is (1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
PubChem CID97290350
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name(1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
SMILESN[C@@H](c1ccc(Cl)nc1)C(F)(F)F
InChIInChI=1S/C7H6ClF3N2/c8-5-2-1-4(3-13-5)6(12)7(9,10)11/h1-3,6H,12H2/t6-/m0/s1
InChIKeyGPBZCFDSOKVWFP-LURJTMIESA-N
XLogP2.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.59
LogP ≤ 52.30
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

1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130041973
2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanamine
CID 55296694
2-chloro-5-(1,2,2,2-tetrafluoroethyl)pyridine
CID 139022718
5-(1-amino-2,2,2-trifluoroethyl)pyridine-2-carbaldehyde
CID 123742763
(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)-2-fluoroethanamine;hydrochloride
CID 171218295
(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 131029081
methyl (3R)-3-amino-3-(6-chloro-3-pyridinyl)-2,2-dimethylpropanoate
CID 171240829
(1S)-1-(3,6-dichloro-2-pyridinyl)-2,2,2-trifluoroethanamine
CID 131122521
(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
CID 55278839
(6-chloro-3-pyridinyl)-cyclopropylmethanamine
CID 55295463

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine (CID 97290350) is (1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine is N[C@@H](c1ccc(Cl)nc1)C(F)(F)F.
What is the InChIKey of (1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine?
The InChIKey is GPBZCFDSOKVWFP-LURJTMIESA-N. The full InChI is InChI=1S/C7H6ClF3N2/c8-5-2-1-4(3-13-5)6(12)7(9,10)11/h1-3,6H,12H2/t6-/m0/s1.
What are the key properties of (1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine?
(1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine has a molecular weight of 210.59 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 97290350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).