methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate

C10H10ClF3N2O2 — CID 97136425

IUPACmethyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
SMILESCOC(=O)[C@H](C)Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H10ClF3N2O2/c1-5(9(17)18-2)15-8-4-6(10(12,13)14)3-7(11)16-8/h3-5H,1-2H3,(H,15,16)/t5-/m0/s1
InChIKeyDFXRRTTXHWUNGX-YFKPBYRVSA-N
MW282.65 g/mol
LogP2.73
Rot. Bonds3

About methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate

methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate (PubChem CID 97136425) has the molecular formula C10H10ClF3N2O2 and a molecular weight of 282.65 g/mol. Its IUPAC name is methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
PubChem CID97136425
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC Namemethyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
SMILESCOC(=O)[C@H](C)Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H10ClF3N2O2/c1-5(9(17)18-2)15-8-4-6(10(12,13)14)3-7(11)16-8/h3-5H,1-2H3,(H,15,16)/t5-/m0/s1
InChIKeyDFXRRTTXHWUNGX-YFKPBYRVSA-N
XLogP2.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-acetamido-3,3,3-trifluoro-2-[(4-methylpyridin-2-yl)amino]propanoate
CID 3598834
Ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}acetate
CID 2774334
Methyl 2-acetamido-2-[(5-chloropyridin-2-yl)amino]-3,3,3-trifluoropropanoate
CID 540589
Methyl 2-((6-fluoropyridin-2-yl)amino)acetate
CID 54594897
methyl N-(5-chloropyridin-2-yl)-3,3,3-trifluoro-2-methoxyalaninate
CID 16764185
Methyl 2-[(5-chloropyridin-2-yl)amino]-3,3,3-trifluoro-2-(3-methylbutanoylamino)propanoate
CID 4143898
Methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate
CID 17382975
N-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 20339534
2-(2-Dimethylaminoethylamino)-4-trifluoromethyl-6-chloropyridine
CID 20339624
Methyl 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]propanoate
CID 43515160
2-[[6-Chloro-4-(trifluoromethyl)pyridin-2-yl]amino]-4,5-dimethylcyclopent-4-ene-1,3-dione
CID 58230249
6-Chloro-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 86646999

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate (CID 97136425) is methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate is COC(=O)[C@H](C)Nc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
The InChIKey is DFXRRTTXHWUNGX-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c1-5(9(17)18-2)15-8-4-6(10(12,13)14)3-7(11)16-8/h3-5H,1-2H3,(H,15,16)/t5-/m0/s1.
What are the key properties of methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate has a molecular weight of 282.65 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate is sourced from PubChem (CID 97136425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).