2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid

C14H11FN2O4 — CID 140848116

IUPAC2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid
SMILES[2H]Oc1cc(-c2cccc(F)c2)cnc1C(=O)N([2H])CC(=O)O
InChIInChI=1S/C14H11FN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)/i/hD2
InChIKeyPXWOWORYDKAEJO-ZSJDYOACSA-N
MW292.26 g/mol
LogP1.41
Rot. Bonds5

About 2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid

2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid (PubChem CID 140848116) has the molecular formula C14H11FN2O4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid
PubChem CID140848116
Molecular FormulaC14H11FN2O4
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid
SMILES[2H]Oc1cc(-c2cccc(F)c2)cnc1C(=O)N([2H])CC(=O)O
InChIInChI=1S/C14H11FN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)/i/hD2
InChIKeyPXWOWORYDKAEJO-ZSJDYOACSA-N
XLogP1.41
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

potassium 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 71491831
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
CID 118266893
2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid
CID 71086645
5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 71087940
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid
CID 71093055
CID 145160317
CID 145160317
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate;2-hydroxyethylazanium
CID 140602466
2-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 170066297
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide
CID 158403612
2-[[5-(5-chloro-2-methylphenyl)-3-hydroxypyridine-2-carbonyl]-deuterioamino]acetic acid
CID 140848117
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide
CID 160943915
2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314266

Frequently Asked Questions

What is the IUPAC name of 2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid (CID 140848116) is 2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid is [2H]Oc1cc(-c2cccc(F)c2)cnc1C(=O)N([2H])CC(=O)O.
What is the InChIKey of 2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is PXWOWORYDKAEJO-ZSJDYOACSA-N. The full InChI is InChI=1S/C14H11FN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)/i/hD2.
What are the key properties of 2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid?
2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 292.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 140848116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).