2-[(3-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

C10H8F3N3O2 — CID 79798363

IUPAC2-[(3-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(Nc1ncccc1C#N)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H8F3N3O2/c1-9(8(17)18,10(11,12)13)16-7-6(5-14)3-2-4-15-7/h2-4H,1H3,(H,15,16)(H,17,18)
InChIKeyGJLLASOWICHCPH-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.77
Rot. Bonds3

About 2-[(3-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[(3-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79798363) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 2-[(3-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79798363
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name2-[(3-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(Nc1ncccc1C#N)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H8F3N3O2/c1-9(8(17)18,10(11,12)13)16-7-6(5-14)3-2-4-15-7/h2-4H,1H3,(H,15,16)(H,17,18)
InChIKeyGJLLASOWICHCPH-UHFFFAOYSA-N
XLogP1.77
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyano-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79792497
3,3,3-trifluoro-2-methyl-2-[(3-methylpyrazin-2-yl)amino]propanoic acid
CID 83064845
2-(2-cyano-4-fluoroanilino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798626
2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328911
2-[(6-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798120
2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 24690844
2-[(2-amino-2-methylpropyl)amino]pyridine-3-carbonitrile
CID 78954580
2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile
CID 62519572
3,3,3-trifluoro-2-methyl-2-[(3-methylquinoxalin-2-yl)amino]propanoic acid
CID 79790688
phenyl N-(3-cyano-2-pyridinyl)carbamate
CID 110472420
1-(3-cyano-2-pyridinyl)-3-phenylurea
CID 110472230
2-[(3,6-dimethylpyrazin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798710

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[(3-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79798363) is 2-[(3-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is CC(Nc1ncccc1C#N)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[(3-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is GJLLASOWICHCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c1-9(8(17)18,10(11,12)13)16-7-6(5-14)3-2-4-15-7/h2-4H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[(3-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 259.19 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79798363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).