methyl 2-[[5-(3-chlorophenyl)-6-deuterio-3-hydroxypyridine-2-carbonyl]amino]acetate

C15H13ClN2O4 — CID 142369403

IUPACmethyl 2-[[5-(3-chlorophenyl)-6-deuterio-3-hydroxypyridine-2-carbonyl]amino]acetate
SMILES[2H]c1nc(C(=O)NCC(=O)OC)c(O)cc1-c1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O4/c1-22-13(20)8-18-15(21)14-12(19)6-10(7-17-14)9-3-2-4-11(16)5-9/h2-7,19H,8H2,1H3,(H,18,21)/i7D
InChIKeyLQWXMRRGVHUWEN-WHRKIXHSSA-N
MW321.74 g/mol
LogP2.01
Rot. Bonds4

About methyl 2-[[5-(3-chlorophenyl)-6-deuterio-3-hydroxypyridine-2-carbonyl]amino]acetate

methyl 2-[[5-(3-chlorophenyl)-6-deuterio-3-hydroxypyridine-2-carbonyl]amino]acetate (PubChem CID 142369403) has the molecular formula C15H13ClN2O4 and a molecular weight of 321.74 g/mol. Its IUPAC name is methyl 2-[[5-(3-chlorophenyl)-6-deuterio-3-hydroxypyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-(3-chlorophenyl)-6-deuterio-3-hydroxypyridine-2-carbonyl]amino]acetate
PubChem CID142369403
Molecular FormulaC15H13ClN2O4
Molecular Weight321.74 g/mol
Exact Mass321.06
IUPAC Namemethyl 2-[[5-(3-chlorophenyl)-6-deuterio-3-hydroxypyridine-2-carbonyl]amino]acetate
SMILES[2H]c1nc(C(=O)NCC(=O)OC)c(O)cc1-c1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O4/c1-22-13(20)8-18-15(21)14-12(19)6-10(7-17-14)9-3-2-4-11(16)5-9/h2-7,19H,8H2,1H3,(H,18,21)/i7D
InChIKeyLQWXMRRGVHUWEN-WHRKIXHSSA-N
XLogP2.01
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate
CID 155001310
2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
CID 118085737
methyl 2-[[5-(2-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 24891581
methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate
CID 163253667
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
methyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate
CID 157422619
methyl 2-[(2,6-dihydroxybenzoyl)amino]acetate
CID 103890198
methyl 2-[[4-(4-chlorophenyl)pyridine-2-carbonyl]amino]acetate
CID 24891148
2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 163519914
methyl 4-[3-chloro-5-(3-chlorophenyl)-2-pyridinyl]-4-oxobutanoate
CID 165046778
methyl 4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoate;bis(methyl 4-(3-hydroxy-5-methylsulfonyloxy-2-pyridinyl)-4-oxobutanoate)
CID 162006009
methyl 2-[[5-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 175228735

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(3-chlorophenyl)-6-deuterio-3-hydroxypyridine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[5-(3-chlorophenyl)-6-deuterio-3-hydroxypyridine-2-carbonyl]amino]acetate (CID 142369403) is methyl 2-[[5-(3-chlorophenyl)-6-deuterio-3-hydroxypyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-(3-chlorophenyl)-6-deuterio-3-hydroxypyridine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[5-(3-chlorophenyl)-6-deuterio-3-hydroxypyridine-2-carbonyl]amino]acetate is [2H]c1nc(C(=O)NCC(=O)OC)c(O)cc1-c1cccc(Cl)c1.
What is the InChIKey of methyl 2-[[5-(3-chlorophenyl)-6-deuterio-3-hydroxypyridine-2-carbonyl]amino]acetate?
The InChIKey is LQWXMRRGVHUWEN-WHRKIXHSSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-22-13(20)8-18-15(21)14-12(19)6-10(7-17-14)9-3-2-4-11(16)5-9/h2-7,19H,8H2,1H3,(H,18,21)/i7D.
What are the key properties of methyl 2-[[5-(3-chlorophenyl)-6-deuterio-3-hydroxypyridine-2-carbonyl]amino]acetate?
methyl 2-[[5-(3-chlorophenyl)-6-deuterio-3-hydroxypyridine-2-carbonyl]amino]acetate has a molecular weight of 321.74 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(3-chlorophenyl)-6-deuterio-3-hydroxypyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 142369403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).