2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid

C11H11F4N3O3 — CID 106295042

IUPAC2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NCC(F)(F)C(F)F)cn1
InChIInChI=1S/C11H11F4N3O3/c12-9(13)11(14,15)5-17-10(21)18-7-2-1-6(16-4-7)3-8(19)20/h1-2,4,9H,3,5H2,(H,19,20)(H2,17,18,21)
InChIKeyYPNAJAQEMHUULB-UHFFFAOYSA-N
MW309.22 g/mol
LogP1.73
Rot. Bonds6

About 2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid

2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid (PubChem CID 106295042) has the molecular formula C11H11F4N3O3 and a molecular weight of 309.22 g/mol. Its IUPAC name is 2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid
PubChem CID106295042
Molecular FormulaC11H11F4N3O3
Molecular Weight309.22 g/mol
Exact Mass309.07
IUPAC Name2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NCC(F)(F)C(F)F)cn1
InChIInChI=1S/C11H11F4N3O3/c12-9(13)11(14,15)5-17-10(21)18-7-2-1-6(16-4-7)3-8(19)20/h1-2,4,9H,3,5H2,(H,19,20)(H2,17,18,21)
InChIKeyYPNAJAQEMHUULB-UHFFFAOYSA-N
XLogP1.73
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 106279156
2-[5-(3,3-dimethylbutylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340868
2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid
CID 107340627
2-[5-(but-3-enylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340820
2-hydroxy-2-methyl-3-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoylamino]propanoic acid
CID 122079511
2-[5-(2-carbamoyloxyethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340802
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340578
2-[5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340628
2-chloro-5-(2,2,3,3-tetrafluoropropylcarbamoylamino)benzoic acid
CID 106294793
2-[5-[4-(dimethylamino)butylcarbamoylamino]-2-pyridinyl]acetic acid
CID 107340633
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid (CID 106295042) is 2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(NC(=O)NCC(F)(F)C(F)F)cn1.
What is the InChIKey of 2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid?
The InChIKey is YPNAJAQEMHUULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N3O3/c12-9(13)11(14,15)5-17-10(21)18-7-2-1-6(16-4-7)3-8(19)20/h1-2,4,9H,3,5H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid?
2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid has a molecular weight of 309.22 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2,3,3-tetrafluoropropylcarbamoylamino)-2-pyridinyl]acetic acid is sourced from PubChem (CID 106295042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).