2-methoxycarbonyl-5-(methoxymethyl)pyridine-3-carboxylic acid

C10H11NO5 — CID 67683783

IUPAC2-methoxycarbonyl-5-(methoxymethyl)pyridine-3-carboxylic acid
SMILESCOCc1cnc(C(=O)OC)c(C(=O)O)c1
InChIInChI=1S/C10H11NO5/c1-15-5-6-3-7(9(12)13)8(11-4-6)10(14)16-2/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyICPQGDXWRBYXJA-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.71
Rot. Bonds4

About 2-methoxycarbonyl-5-(methoxymethyl)pyridine-3-carboxylic acid

2-methoxycarbonyl-5-(methoxymethyl)pyridine-3-carboxylic acid (PubChem CID 67683783) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-methoxycarbonyl-5-(methoxymethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methoxycarbonyl-5-(methoxymethyl)pyridine-3-carboxylic acid
PubChem CID67683783
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name2-methoxycarbonyl-5-(methoxymethyl)pyridine-3-carboxylic acid
SMILESCOCc1cnc(C(=O)OC)c(C(=O)O)c1
InChIInChI=1S/C10H11NO5/c1-15-5-6-3-7(9(12)13)8(11-4-6)10(14)16-2/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyICPQGDXWRBYXJA-UHFFFAOYSA-N
XLogP0.71
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methoxymethyl)-2-N-methylpyridine-2,3-dicarboxamide
CID 174324873
5-(propoxymethyl)pyridine-2,3-dicarboxylic acid
CID 19808277
2-acetyl-5-ethylpyridine-3-carboxylic acid
CID 19902850
dimethyl 5-bromopyridine-2,3-dicarboxylate
CID 53423993
2-ethoxycarbonyl-5-[(4-fluorophenyl)methyl]pyridine-3-carboxylic acid
CID 42637769
5-(2-chloroethyl)pyridine-2,3-dicarboxylic acid
CID 19010337
methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate
CID 117275720
azanium 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
CID 23082577
2-[2-(dicarboxymethyl)-5-(methoxymethyl)-3-pyridinyl]propanedioic acid
CID 174432085
5-chloro-2-ethoxycarbonylpyridine-3-carboxylic acid
CID 131431578
dimethyl 5-[[5,6-bis(methoxycarbonyl)-3-pyridinyl]sulfanyl]pyridine-2,3-dicarboxylate;ethane
CID 163236619
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427

Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonyl-5-(methoxymethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-methoxycarbonyl-5-(methoxymethyl)pyridine-3-carboxylic acid (CID 67683783) is 2-methoxycarbonyl-5-(methoxymethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methoxycarbonyl-5-(methoxymethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-methoxycarbonyl-5-(methoxymethyl)pyridine-3-carboxylic acid is COCc1cnc(C(=O)OC)c(C(=O)O)c1.
What is the InChIKey of 2-methoxycarbonyl-5-(methoxymethyl)pyridine-3-carboxylic acid?
The InChIKey is ICPQGDXWRBYXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-15-5-6-3-7(9(12)13)8(11-4-6)10(14)16-2/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-methoxycarbonyl-5-(methoxymethyl)pyridine-3-carboxylic acid?
2-methoxycarbonyl-5-(methoxymethyl)pyridine-3-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonyl-5-(methoxymethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 67683783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).