2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid

C15H12F3N3O4 — CID 162731525

IUPAC2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid
SMILESCc1c(-c2ccc(C(F)(F)F)nc2)cnc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C15H12F3N3O4/c1-7-9(8-2-3-10(19-4-8)15(16,17)18)5-20-12(13(7)24)14(25)21-6-11(22)23/h2-5,24H,6H2,1H3,(H,21,25)(H,22,23)
InChIKeyCOQYEYFGBWPFGZ-UHFFFAOYSA-N
MW355.27 g/mol
LogP1.99
Rot. Bonds4

About 2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid

2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid (PubChem CID 162731525) has the molecular formula C15H12F3N3O4 and a molecular weight of 355.27 g/mol. Its IUPAC name is 2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid
PubChem CID162731525
Molecular FormulaC15H12F3N3O4
Molecular Weight355.27 g/mol
Exact Mass355.08
IUPAC Name2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid
SMILESCc1c(-c2ccc(C(F)(F)F)nc2)cnc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C15H12F3N3O4/c1-7-9(8-2-3-10(19-4-8)15(16,17)18)5-20-12(13(7)24)14(25)21-6-11(22)23/h2-5,24H,6H2,1H3,(H,21,25)(H,22,23)
InChIKeyCOQYEYFGBWPFGZ-UHFFFAOYSA-N
XLogP1.99
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid with MolForge

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Related Compounds

Vadadustat
CID 23634441
3-Hydroxy-N-((2Z,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(1-methylpropylidene)-3,7,12-trioxo-9-(3-pyridinylmethyl)-1,4-dioxa-8-azacyclododec-6-yl)-2-pyridinecarboxamide
CID 3037036
2-[(3-Hydroxypyridin-2-yl)formamido]acetic acid
CID 9837038
N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 6483031
US8598210, Table XV, 4
CID 24891734
N-[(4-Hydroxy-8-iodoisoquinolin-3-YL)carbonyl]glycine
CID 6914624
US8598210, Table XV, 1
CID 24891582
3-Hydroxy-N-[(2r,5r,6s,9s,10s,11r)-10-Hydroxy-5,11-Dimethyl-3,7,12-Trioxo-2-(Propan-2-Yl)-9-(Pyridin-3-Ylmethyl)-1,4-Dioxa-8-Azacyclododecan-6-Yl]pyridine-2-Carboxamide
CID 71624761
N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 10150134
5-[2-(4-Fluorophenyl)ethyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carbohydroxamic acid
CID 44540201
US10889546, Example 5
CID 129027154
US10889546, Example 64
CID 129027326

Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid (CID 162731525) is 2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid is Cc1c(-c2ccc(C(F)(F)F)nc2)cnc(C(=O)NCC(=O)O)c1O.
What is the InChIKey of 2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is COQYEYFGBWPFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O4/c1-7-9(8-2-3-10(19-4-8)15(16,17)18)5-20-12(13(7)24)14(25)21-6-11(22)23/h2-5,24H,6H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid?
2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 355.27 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 162731525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).