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

C10H10ClF3N2O2 — CID 2773862

IUPAC4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
SMILESO=C(O)CCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2O2/c11-7-4-6(10(12,13)14)5-16-9(7)15-3-1-2-8(17)18/h4-5H,1-3H2,(H,15,16)(H,17,18)
InChIKeyOZYZTDVTXHXOKW-UHFFFAOYSA-N
MW282.65 g/mol
LogP3.03
Rot. Bonds5

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

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid (PubChem CID 2773862) has the molecular formula C10H10ClF3N2O2 and a molecular weight of 282.65 g/mol. Its IUPAC name is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
PubChem CID2773862
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
SMILESO=C(O)CCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2O2/c11-7-4-6(10(12,13)14)5-16-9(7)15-3-1-2-8(17)18/h4-5H,1-3H2,(H,15,16)(H,17,18)
InChIKeyOZYZTDVTXHXOKW-UHFFFAOYSA-N
XLogP3.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine
CID 107320716
3-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-propan-2-ylamino]propanoic acid
CID 120520175
2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid
CID 119346564
3-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoylamino]butanoic acid
CID 119347900
N'-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
CID 158421332
2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]amino]acetic acid
CID 43465671
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate
CID 83204495
N-(2-aminoethyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 119383283
4-[(5-carbamoyl-3-chloro-2-pyridinyl)amino]butanoic acid
CID 122058630
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutanoic acid
CID 64701177
3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106012866
N-(2-amino-2-methylpropyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide;dihydrochloride
CID 119627496

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?
The IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid (CID 2773862) is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid.
What is the SMILES notation for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?
The canonical SMILES for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid is O=C(O)CCCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?
The InChIKey is OZYZTDVTXHXOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c11-7-4-6(10(12,13)14)5-16-9(7)15-3-1-2-8(17)18/h4-5H,1-3H2,(H,15,16)(H,17,18).
What are the key properties of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid has a molecular weight of 282.65 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid is sourced from PubChem (CID 2773862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).