2-[[7-hydroxy-2-[2-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid

C17H11F3N2O4S — CID 11845475

IUPAC2-[[7-hydroxy-2-[2-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc2cc(-c3ccccc3C(F)(F)F)sc2c1O
InChIInChI=1S/C17H11F3N2O4S/c18-17(19,20)10-4-2-1-3-9(10)11-5-8-6-21-13(14(25)15(8)27-11)16(26)22-7-12(23)24/h1-6,25H,7H2,(H,22,26)(H,23,24)
InChIKeyXONJIRUETJQXMI-UHFFFAOYSA-N
MW396.35 g/mol
LogP3.50
Rot. Bonds4

About 2-[[7-hydroxy-2-[2-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid

2-[[7-hydroxy-2-[2-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid (PubChem CID 11845475) has the molecular formula C17H11F3N2O4S and a molecular weight of 396.35 g/mol. Its IUPAC name is 2-[[7-hydroxy-2-[2-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[7-hydroxy-2-[2-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid
PubChem CID11845475
Molecular FormulaC17H11F3N2O4S
Molecular Weight396.35 g/mol
Exact Mass396.04
IUPAC Name2-[[7-hydroxy-2-[2-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc2cc(-c3ccccc3C(F)(F)F)sc2c1O
InChIInChI=1S/C17H11F3N2O4S/c18-17(19,20)10-4-2-1-3-9(10)11-5-8-6-21-13(14(25)15(8)27-11)16(26)22-7-12(23)24/h1-6,25H,7H2,(H,22,26)(H,23,24)
InChIKeyXONJIRUETJQXMI-UHFFFAOYSA-N
XLogP3.50
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[7-hydroxy-2-[2-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[(1-Cyano-4-hydroxy-[1]benzothiolo[3,2-c]pyridine-3-carbonyl)amino]acetic acid
CID 42639413
2-[[3-hydroxy-5-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-2-carbonyl]amino]acetic acid
CID 168287522
2-[(1-Chloro-4-hydroxy-[1]benzothiolo[3,2-c]pyridine-3-carbonyl)amino]acetic acid
CID 25206050
2-[(4-Hydroxy-[1]benzothiolo[3,2-c]pyridine-3-carbonyl)amino]acetic acid
CID 42639238
2-[(4-Hydroxy-1-methyl-[1]benzothiolo[3,2-c]pyridine-3-carbonyl)amino]acetic acid
CID 42639898
4-[(4-Hydroxy-7-phenylsulfanyl-isoquinoline-3-carbonyl)-amino]-butyric acid
CID 71735943
3-[(4-Hydroxy-7-phenylsulfanyl-isoquinoline-3-carbonyl)-amino]-2,2-dimethyl-propionic acid
CID 89814593
2-[[3-Hydroxy-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid
CID 162731563
2-[[3-Hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid
CID 162731674
2-[[3-Hydroxy-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]pyridine-2-carbonyl]amino]acetic acid
CID 172446534
5-[(4-Hydroxy-7-phenylsulfanyl-isoquinoline-3-carbonyl)-amino]-pentanoic acid
CID 71736103
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-thiophen-2-ylpyridine-2-carboxamide
CID 11404686

Frequently Asked Questions

What is the IUPAC name of 2-[[7-hydroxy-2-[2-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[7-hydroxy-2-[2-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid (CID 11845475) is 2-[[7-hydroxy-2-[2-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[7-hydroxy-2-[2-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[7-hydroxy-2-[2-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ncc2cc(-c3ccccc3C(F)(F)F)sc2c1O.
What is the InChIKey of 2-[[7-hydroxy-2-[2-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
The InChIKey is XONJIRUETJQXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O4S/c18-17(19,20)10-4-2-1-3-9(10)11-5-8-6-21-13(14(25)15(8)27-11)16(26)22-7-12(23)24/h1-6,25H,7H2,(H,22,26)(H,23,24).
What are the key properties of 2-[[7-hydroxy-2-[2-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid?
2-[[7-hydroxy-2-[2-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid has a molecular weight of 396.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-hydroxy-2-[2-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carbonyl]amino]acetic acid is sourced from PubChem (CID 11845475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).