4-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoic acid

C10H10ClF3N2O2 — CID 141018813

IUPAC4-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoic acid
SMILESNCCC(C(=O)O)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2O2/c11-7-3-5(10(12,13)14)4-16-8(7)6(1-2-15)9(17)18/h3-4,6H,1-2,15H2,(H,17,18)
InChIKeyNPLGZUVKKDLLNW-UHFFFAOYSA-N
MW282.65 g/mol
LogP2.27
Rot. Bonds4

About 4-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoic acid

4-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoic acid (PubChem CID 141018813) has the molecular formula C10H10ClF3N2O2 and a molecular weight of 282.65 g/mol. Its IUPAC name is 4-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoic acid
PubChem CID141018813
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC Name4-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoic acid
SMILESNCCC(C(=O)O)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2O2/c11-7-3-5(10(12,13)14)4-16-8(7)6(1-2-15)9(17)18/h3-4,6H,1-2,15H2,(H,17,18)
InChIKeyNPLGZUVKKDLLNW-UHFFFAOYSA-N
XLogP2.27
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoic acid?
The IUPAC name of 4-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoic acid (CID 141018813) is 4-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoic acid.
What is the SMILES notation for 4-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoic acid?
The canonical SMILES for 4-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoic acid is NCCC(C(=O)O)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoic acid?
The InChIKey is NPLGZUVKKDLLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c11-7-3-5(10(12,13)14)4-16-8(7)6(1-2-15)9(17)18/h3-4,6H,1-2,15H2,(H,17,18).
What are the key properties of 4-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoic acid?
4-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoic acid has a molecular weight of 282.65 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butanoic acid is sourced from PubChem (CID 141018813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).