[(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium

C10H11ClF3N2O2+ — CID 7097279

IUPAC[(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium
SMILESCOC(=O)[C@H]([NH3+])Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2O2/c1-18-9(17)7(15)3-8-6(11)2-5(4-16-8)10(12,13)14/h2,4,7H,3,15H2,1H3/p+1/t7-/m1/s1
InChIKeyMIWSOSOLEGQQOR-SSDOTTSWSA-O
MW283.66 g/mol
LogP1.08
Rot. Bonds3

About [(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium

[(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium (PubChem CID 7097279) has the molecular formula C10H11ClF3N2O2+ and a molecular weight of 283.66 g/mol. Its IUPAC name is [(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium
PubChem CID7097279
Molecular FormulaC10H11ClF3N2O2+
Molecular Weight283.66 g/mol
Exact Mass283.05
IUPAC Name[(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium
SMILESCOC(=O)[C@H]([NH3+])Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2O2/c1-18-9(17)7(15)3-8-6(11)2-5(4-16-8)10(12,13)14/h2,4,7H,3,15H2,1H3/p+1/t7-/m1/s1
InChIKeyMIWSOSOLEGQQOR-SSDOTTSWSA-O
XLogP1.08
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.66
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine
CID 63205098
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-(methylamino)-3-oxopropoxy]benzamide
CID 87526451
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxyethyl]-2-(trifluoromethyl)benzamide
CID 86732539
methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate
CID 75175960
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride
CID 22637222
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine
CID 63196526
methyl 3-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoate
CID 171864714
2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 53405659
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide
CID 3759280
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanethioamide
CID 91664064
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylacetamide
CID 1491758
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2,5-dimethylbenzamide
CID 24888327

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium?
The IUPAC name of [(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium (CID 7097279) is [(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium is COC(=O)[C@H]([NH3+])Cc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium?
The InChIKey is MIWSOSOLEGQQOR-SSDOTTSWSA-O. The full InChI is InChI=1S/C10H10ClF3N2O2/c1-18-9(17)7(15)3-8-6(11)2-5(4-16-8)10(12,13)14/h2,4,7H,3,15H2,1H3/p+1/t7-/m1/s1.
What are the key properties of [(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium?
[(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium has a molecular weight of 283.66 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 7097279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).