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

C10H9ClF3N3O3 — CID 43465671

IUPAC2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9ClF3N3O3/c11-6-1-5(10(12,13)14)2-16-9(6)17-3-7(18)15-4-8(19)20/h1-2H,3-4H2,(H,15,18)(H,16,17)(H,19,20)
InChIKeyDWOLQBMBNHWVRY-UHFFFAOYSA-N
MW311.65 g/mol
LogP1.37
Rot. Bonds5

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

2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]amino]acetic acid (PubChem CID 43465671) has the molecular formula C10H9ClF3N3O3 and a molecular weight of 311.65 g/mol. Its IUPAC name is 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]amino]acetic acid
PubChem CID43465671
Molecular FormulaC10H9ClF3N3O3
Molecular Weight311.65 g/mol
Exact Mass311.03
IUPAC Name2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9ClF3N3O3/c11-6-1-5(10(12,13)14)2-16-9(6)17-3-7(18)15-4-8(19)20/h1-2H,3-4H2,(H,15,18)(H,16,17)(H,19,20)
InChIKeyDWOLQBMBNHWVRY-UHFFFAOYSA-N
XLogP1.37
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.65
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 2773862
3-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoylamino]butanoic acid
CID 119347900
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutanoic acid
CID 64701177
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid
CID 115572196
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid
CID 62676790
N-(2-aminoethyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 119383283
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
CID 71891929
2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 27888885
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid
CID 115430013
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-methylbutanoic acid
CID 65226413
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]amino]acetic acid (CID 43465671) is 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]amino]acetic acid?
The InChIKey is DWOLQBMBNHWVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3O3/c11-6-1-5(10(12,13)14)2-16-9(6)17-3-7(18)15-4-8(19)20/h1-2H,3-4H2,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]amino]acetic acid?
2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]amino]acetic acid has a molecular weight of 311.65 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43465671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).