(1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine

C7H6ClF3N2 — CID 130655879

IUPAC(1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
SMILESN[C@@H](c1cncc(Cl)c1)C(F)(F)F
InChIInChI=1S/C7H6ClF3N2/c8-5-1-4(2-13-3-5)6(12)7(9,10)11/h1-3,6H,12H2/t6-/m0/s1
InChIKeyYILNUGCOKRRONV-LURJTMIESA-N
MW210.59 g/mol
LogP2.30
Rot. Bonds1

About (1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine

(1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine (PubChem CID 130655879) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is (1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
PubChem CID130655879
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name(1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
SMILESN[C@@H](c1cncc(Cl)c1)C(F)(F)F
InChIInChI=1S/C7H6ClF3N2/c8-5-1-4(2-13-3-5)6(12)7(9,10)11/h1-3,6H,12H2/t6-/m0/s1
InChIKeyYILNUGCOKRRONV-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

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Related Compounds

5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine
CID 55274382
5-(1-amino-2,2,2-trifluoroethyl)pyridin-3-amine
CID 55270823
(1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 131023913
(1R,2R)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 55270497
(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 131029081
(1S)-1-(5-chloro-3-pyridinyl)ethanol
CID 171991494
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512014
(1S)-1-(3-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine
CID 130692112
(1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol
CID 131191100
3-amino-3-(5-chloro-3-pyridinyl)propanoic acid
CID 84669672
2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol
CID 123836441
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171244734

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine (CID 130655879) is (1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine is N[C@@H](c1cncc(Cl)c1)C(F)(F)F.
What is the InChIKey of (1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine?
The InChIKey is YILNUGCOKRRONV-LURJTMIESA-N. The full InChI is InChI=1S/C7H6ClF3N2/c8-5-1-4(2-13-3-5)6(12)7(9,10)11/h1-3,6H,12H2/t6-/m0/s1.
What are the key properties of (1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine?
(1S)-1-(5-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-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 130655879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).