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

C10H10ClF3N2O2 — CID 55096786

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2O2/c1-5(9(17)18)16(2)8-7(11)3-6(4-15-8)10(12,13)14/h3-5H,1-2H3,(H,17,18)
InChIKeyXOJBAXORPNUXRM-UHFFFAOYSA-N
MW282.65 g/mol
LogP2.66
Rot. Bonds3

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

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid (PubChem CID 55096786) has the molecular formula C10H10ClF3N2O2 and a molecular weight of 282.65 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid
PubChem CID55096786
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2O2/c1-5(9(17)18)16(2)8-7(11)3-6(4-15-8)10(12,13)14/h3-5H,1-2H3,(H,17,18)
InChIKeyXOJBAXORPNUXRM-UHFFFAOYSA-N
XLogP2.66
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid (CID 55096786) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid?
The InChIKey is XOJBAXORPNUXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c1-5(9(17)18)16(2)8-7(11)3-6(4-15-8)10(12,13)14/h3-5H,1-2H3,(H,17,18).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid has a molecular weight of 282.65 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoic acid is sourced from PubChem (CID 55096786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).