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

C9H8ClF3N2O2 — CID 24705380

IUPAC3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
SMILESO=C(O)CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H8ClF3N2O2/c10-6-3-5(9(11,12)13)4-15-8(6)14-2-1-7(16)17/h3-4H,1-2H2,(H,14,15)(H,16,17)
InChIKeyNFAWCGNEVAXAQK-UHFFFAOYSA-N
MW268.62 g/mol
LogP2.64
Rot. Bonds4

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

3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid (PubChem CID 24705380) has the molecular formula C9H8ClF3N2O2 and a molecular weight of 268.62 g/mol. Its IUPAC name is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
PubChem CID24705380
Molecular FormulaC9H8ClF3N2O2
Molecular Weight268.62 g/mol
Exact Mass268.02
IUPAC Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
SMILESO=C(O)CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H8ClF3N2O2/c10-6-3-5(9(11,12)13)4-15-8(6)14-2-1-7(16)17/h3-4H,1-2H2,(H,14,15)(H,16,17)
InChIKeyNFAWCGNEVAXAQK-UHFFFAOYSA-N
XLogP2.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
The IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid (CID 24705380) is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid.
What is the SMILES notation for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
The canonical SMILES for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid is O=C(O)CCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
The InChIKey is NFAWCGNEVAXAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O2/c10-6-3-5(9(11,12)13)4-15-8(6)14-2-1-7(16)17/h3-4H,1-2H2,(H,14,15)(H,16,17).
What are the key properties of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid has a molecular weight of 268.62 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 24705380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).