5-methoxycarbonyl-3,6-dimethyl-4-(2-nitrosophenyl)pyridine-2-carboxylic acid

C16H14N2O5 — CID 174688766

IUPAC5-methoxycarbonyl-3,6-dimethyl-4-(2-nitrosophenyl)pyridine-2-carboxylic acid
SMILESCOC(=O)c1c(C)nc(C(=O)O)c(C)c1-c1ccccc1N=O
InChIInChI=1S/C16H14N2O5/c1-8-12(10-6-4-5-7-11(10)18-22)13(16(21)23-3)9(2)17-14(8)15(19)20/h4-7H,1-3H3,(H,19,20)
InChIKeyCBCDBSWBSMIKPI-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.25
Rot. Bonds4

About 5-methoxycarbonyl-3,6-dimethyl-4-(2-nitrosophenyl)pyridine-2-carboxylic acid

5-methoxycarbonyl-3,6-dimethyl-4-(2-nitrosophenyl)pyridine-2-carboxylic acid (PubChem CID 174688766) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is 5-methoxycarbonyl-3,6-dimethyl-4-(2-nitrosophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxycarbonyl-3,6-dimethyl-4-(2-nitrosophenyl)pyridine-2-carboxylic acid
PubChem CID174688766
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name5-methoxycarbonyl-3,6-dimethyl-4-(2-nitrosophenyl)pyridine-2-carboxylic acid
SMILESCOC(=O)c1c(C)nc(C(=O)O)c(C)c1-c1ccccc1N=O
InChIInChI=1S/C16H14N2O5/c1-8-12(10-6-4-5-7-11(10)18-22)13(16(21)23-3)9(2)17-14(8)15(19)20/h4-7H,1-3H3,(H,19,20)
InChIKeyCBCDBSWBSMIKPI-UHFFFAOYSA-N
XLogP3.25
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid
CID 3073497
ethyl 2-methyl-4-(2-nitrosophenyl)-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate
CID 11099435
methyl 2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate
CID 54096227
dimethyl cyclohepta[b]pyrrole-2,3-dicarboxylate
CID 15202117
dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate
CID 19232495
5-O-methyl 3-O-(2-methylpropyl) 4-(2-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 155908669
methyl 3-methyl-4-phenyl-5H-pyrido[4,3-b]indole-1-carboxylate
CID 13351963
methyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 71762856
methyl 2-methyl-3,6-bis(2-methylphenyl)benzoate
CID 58232399
dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate
CID 102083837
dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232500
methyl 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate
CID 21255226

Frequently Asked Questions

What is the IUPAC name of 5-methoxycarbonyl-3,6-dimethyl-4-(2-nitrosophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-methoxycarbonyl-3,6-dimethyl-4-(2-nitrosophenyl)pyridine-2-carboxylic acid (CID 174688766) is 5-methoxycarbonyl-3,6-dimethyl-4-(2-nitrosophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-methoxycarbonyl-3,6-dimethyl-4-(2-nitrosophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-methoxycarbonyl-3,6-dimethyl-4-(2-nitrosophenyl)pyridine-2-carboxylic acid is COC(=O)c1c(C)nc(C(=O)O)c(C)c1-c1ccccc1N=O.
What is the InChIKey of 5-methoxycarbonyl-3,6-dimethyl-4-(2-nitrosophenyl)pyridine-2-carboxylic acid?
The InChIKey is CBCDBSWBSMIKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-8-12(10-6-4-5-7-11(10)18-22)13(16(21)23-3)9(2)17-14(8)15(19)20/h4-7H,1-3H3,(H,19,20).
What are the key properties of 5-methoxycarbonyl-3,6-dimethyl-4-(2-nitrosophenyl)pyridine-2-carboxylic acid?
5-methoxycarbonyl-3,6-dimethyl-4-(2-nitrosophenyl)pyridine-2-carboxylic acid has a molecular weight of 314.30 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycarbonyl-3,6-dimethyl-4-(2-nitrosophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 174688766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).