2-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid

C11H11F3N2O3S — CID 2795954

IUPAC2-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid
SMILESCc1nc(C(F)(F)F)ccc1NC(=O)CSCC(=O)O
InChIInChI=1S/C11H11F3N2O3S/c1-6-7(2-3-8(15-6)11(12,13)14)16-9(17)4-20-5-10(18)19/h2-3H,4-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyBVPXOLDMGKYLOZ-UHFFFAOYSA-N
MW308.28 g/mol
LogP2.17
Rot. Bonds5

About 2-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid

2-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 2795954) has the molecular formula C11H11F3N2O3S and a molecular weight of 308.28 g/mol. Its IUPAC name is 2-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid
PubChem CID2795954
Molecular FormulaC11H11F3N2O3S
Molecular Weight308.28 g/mol
Exact Mass308.04
IUPAC Name2-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid
SMILESCc1nc(C(F)(F)F)ccc1NC(=O)CSCC(=O)O
InChIInChI=1S/C11H11F3N2O3S/c1-6-7(2-3-8(15-6)11(12,13)14)16-9(17)4-20-5-10(18)19/h2-3H,4-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyBVPXOLDMGKYLOZ-UHFFFAOYSA-N
XLogP2.17
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[2-Oxo-2-(3-pyridylamino)ethyl]thio}acetic acid
CID 2825949
4-{[2-Methyl-6-(trifluoromethyl)pyridin-3-yl]amino}-4-oxobut-2-enoic acid
CID 2795905
2,2-difluoro-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-phenylsulfanylacetamide
CID 2796258
(Z)-4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]-4-oxobut-2-enoic acid
CID 5712249
N-(2,6-dimethyl-3-pyridinyl)acetamide
CID 5169017
(E)-4-[[2-methyl-6-(trifluoromethyl)pyridin-3-yl]amino]-4-oxobut-2-enoic acid
CID 5930581
N-(6-Fluoro-2-methyl-3-pyridinyl)acetamide
CID 59578501
N-(2-fluoro-6-methyl-3-pyridinyl)acetamide
CID 59578504
N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 68041191
5-[3-Amino-6-(trifluoromethyl)pyridin-2-yl]pent-4-ynoic acid
CID 68678300
N-[2-methanimidoyl-6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 134481260
(E)-3-[3-amino-6-(trifluoromethyl)-2-pyridinyl]prop-2-enoic acid
CID 137425201

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid (CID 2795954) is 2-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid is Cc1nc(C(F)(F)F)ccc1NC(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is BVPXOLDMGKYLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3S/c1-6-7(2-3-8(15-6)11(12,13)14)16-9(17)4-20-5-10(18)19/h2-3H,4-5H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 308.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 2795954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).