deuterio(fluoro)methane;methyl 2-oxo-1-propan-2-ylpyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate

C18H23FN2O6 — CID 161175975

IUPACdeuterio(fluoro)methane;methyl 2-oxo-1-propan-2-ylpyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc[nH]c(=O)c1.COC(=O)c1ccn(C(C)C)c(=O)c1.[2H]CF
InChIInChI=1S/C10H13NO3.C7H7NO3.CH3F/c1-7(2)11-5-4-8(6-9(11)12)10(13)14-3;1-11-7(10)5-2-3-8-6(9)4-5;1-2/h4-7H,1-3H3;2-4H,1H3,(H,8,9);1H3/i;;1D
InChIKeyURUVTGCRBHNAAQ-PRQZKWGPSA-N
MW383.39 g/mol
LogP1.96
Rot. Bonds3

About deuterio(fluoro)methane;methyl 2-oxo-1-propan-2-ylpyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate

deuterio(fluoro)methane;methyl 2-oxo-1-propan-2-ylpyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate (PubChem CID 161175975) has the molecular formula C18H23FN2O6 and a molecular weight of 383.39 g/mol. Its IUPAC name is deuterio(fluoro)methane;methyl 2-oxo-1-propan-2-ylpyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Namedeuterio(fluoro)methane;methyl 2-oxo-1-propan-2-ylpyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate
PubChem CID161175975
Molecular FormulaC18H23FN2O6
Molecular Weight383.39 g/mol
Exact Mass383.16
IUPAC Namedeuterio(fluoro)methane;methyl 2-oxo-1-propan-2-ylpyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc[nH]c(=O)c1.COC(=O)c1ccn(C(C)C)c(=O)c1.[2H]CF
InChIInChI=1S/C10H13NO3.C7H7NO3.CH3F/c1-7(2)11-5-4-8(6-9(11)12)10(13)14-3;1-11-7(10)5-2-3-8-6(9)4-5;1-2/h4-7H,1-3H3;2-4H,1H3,(H,8,9);1H3/i;;1D
InChIKeyURUVTGCRBHNAAQ-PRQZKWGPSA-N
XLogP1.96
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze deuterio(fluoro)methane;methyl 2-oxo-1-propan-2-ylpyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate
CID 46868567
2-oxo-1-propan-2-ylpyridine-4-carbohydrazide
CID 122507445
propan-2-yl 2-oxo-1H-pyridine-4-carboxylate
CID 71757680
N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103839182
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763516
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763621
(2S,3S)-3-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid
CID 103850155
methyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate
CID 91406390
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 104580697
methyl 1-(1-chloroethyl)-2-iminopyridine-4-carboxylate
CID 146550218
methyl 3-(2-oxo-1H-imidazol-3-yl)benzoate
CID 172993340
N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide
CID 106130813

Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;methyl 2-oxo-1-propan-2-ylpyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of deuterio(fluoro)methane;methyl 2-oxo-1-propan-2-ylpyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate (CID 161175975) is deuterio(fluoro)methane;methyl 2-oxo-1-propan-2-ylpyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for deuterio(fluoro)methane;methyl 2-oxo-1-propan-2-ylpyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for deuterio(fluoro)methane;methyl 2-oxo-1-propan-2-ylpyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate is COC(=O)c1cc[nH]c(=O)c1.COC(=O)c1ccn(C(C)C)c(=O)c1.[2H]CF.
What is the InChIKey of deuterio(fluoro)methane;methyl 2-oxo-1-propan-2-ylpyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate?
The InChIKey is URUVTGCRBHNAAQ-PRQZKWGPSA-N. The full InChI is InChI=1S/C10H13NO3.C7H7NO3.CH3F/c1-7(2)11-5-4-8(6-9(11)12)10(13)14-3;1-11-7(10)5-2-3-8-6(9)4-5;1-2/h4-7H,1-3H3;2-4H,1H3,(H,8,9);1H3/i;;1D.
What are the key properties of deuterio(fluoro)methane;methyl 2-oxo-1-propan-2-ylpyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate?
deuterio(fluoro)methane;methyl 2-oxo-1-propan-2-ylpyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate has a molecular weight of 383.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio(fluoro)methane;methyl 2-oxo-1-propan-2-ylpyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 161175975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).