3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid

C10H10ClF3N2O2 — CID 60987552

IUPAC3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2O2/c1-16(3-2-8(17)18)9-7(11)4-6(5-15-9)10(12,13)14/h4-5H,2-3H2,1H3,(H,17,18)
InChIKeyRDJSRUMLZNOTNW-UHFFFAOYSA-N
MW282.65 g/mol
LogP2.66
Rot. Bonds4

About 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid

3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid (PubChem CID 60987552) has the molecular formula C10H10ClF3N2O2 and a molecular weight of 282.65 g/mol. Its IUPAC name is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid
PubChem CID60987552
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2O2/c1-16(3-2-8(17)18)9-7(11)4-6(5-15-9)10(12,13)14/h4-5H,2-3H2,1H3,(H,17,18)
InChIKeyRDJSRUMLZNOTNW-UHFFFAOYSA-N
XLogP2.66
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid (CID 60987552) is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid is CN(CCC(=O)O)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid?
The InChIKey is RDJSRUMLZNOTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c1-16(3-2-8(17)18)9-7(11)4-6(5-15-9)10(12,13)14/h4-5H,2-3H2,1H3,(H,17,18).
What are the key properties of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid?
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid has a molecular weight of 282.65 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid is sourced from PubChem (CID 60987552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).