2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid

C16H11Cl2F3N2O4 — CID 67971457

IUPAC2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H11Cl2F3N2O4/c17-11-2-1-8(4-12(11)18)10-3-9(14(26)22-6-13(24)25)5-23-15(10)27-7-16(19,20)21/h1-5H,6-7H2,(H,22,26)(H,24,25)
InChIKeyZOOWGIFLEOTVER-UHFFFAOYSA-N
MW423.17 g/mol
LogP3.81
Rot. Bonds6

About 2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid

2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid (PubChem CID 67971457) has the molecular formula C16H11Cl2F3N2O4 and a molecular weight of 423.17 g/mol. Its IUPAC name is 2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
PubChem CID67971457
Molecular FormulaC16H11Cl2F3N2O4
Molecular Weight423.17 g/mol
Exact Mass422.00
IUPAC Name2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H11Cl2F3N2O4/c17-11-2-1-8(4-12(11)18)10-3-9(14(26)22-6-13(24)25)5-23-15(10)27-7-16(19,20)21/h1-5H,6-7H2,(H,22,26)(H,24,25)
InChIKeyZOOWGIFLEOTVER-UHFFFAOYSA-N
XLogP3.81
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.17
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-(3,3,3-trifluoro-2-methoxyiminopropyl)pyridine-3-carboxamide
CID 76530344
N-(2-cyclopropyl-2-methoxyiminoethyl)-5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 76530255
5-(3,4-dichlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 146505274
5-[3-(aminomethyl)-4-chlorophenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid
CID 150739401
5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;5-(3,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 162017411
5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 56929461
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 11952383
5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 67971298
5-(4-chlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 71294012
5-[[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamoyl]pyridine-3-carboxylic acid
CID 67280524
5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55739738
5-(4-chlorophenyl)-N-[4-(2-hydroxyethyl)piperidin-1-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 71293948

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid (CID 67971457) is 2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is ZOOWGIFLEOTVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F3N2O4/c17-11-2-1-8(4-12(11)18)10-3-9(14(26)22-6-13(24)25)5-23-15(10)27-7-16(19,20)21/h1-5H,6-7H2,(H,22,26)(H,24,25).
What are the key properties of 2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid?
2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 423.17 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 67971457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).