6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid

C12H15NO5 — CID 19960366

IUPAC6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid
SMILESCOC(=O)c1ncc(C(=O)O)cc1OCC(C)C
InChIInChI=1S/C12H15NO5/c1-7(2)6-18-9-4-8(11(14)15)5-13-10(9)12(16)17-3/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyRMUXLLNMEBPBLP-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.60
Rot. Bonds5

About 6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid

6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid (PubChem CID 19960366) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid
PubChem CID19960366
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid
SMILESCOC(=O)c1ncc(C(=O)O)cc1OCC(C)C
InChIInChI=1S/C12H15NO5/c1-7(2)6-18-9-4-8(11(14)15)5-13-10(9)12(16)17-3/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyRMUXLLNMEBPBLP-UHFFFAOYSA-N
XLogP1.60
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate
CID 22923882
3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
CID 22923874
methyl 4-(2-methylpropoxy)-3-(trifluoromethyl)benzoate
CID 169061075
3,4-difluoro-5-(2-methylpropoxy)benzoic acid
CID 91655660
methyl 3-acetyl-4-(2-methylpropoxy)benzoate
CID 97033851
6-[[4-(2-methylpropoxy)-3-propan-2-ylphenyl]methyl]pyridine-3-carboxylic acid
CID 167687017
3-(carbamothioylamino)-4-(2-methylpropoxy)benzoic acid
CID 169357649
methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate
CID 66456879
3-acetyl-4-(2-methylpropoxy)benzoic acid
CID 97033854
5-chloro-6-(4-methylpentoxycarbonyl)pyridine-3-carboxylic acid
CID 129137214
methyl 5-amino-2-(2-methylpropoxy)benzoate
CID 61307222
5-methoxy-6-propan-2-yloxypyridine-3-carboxylic acid
CID 67025414

Frequently Asked Questions

What is the IUPAC name of 6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid (CID 19960366) is 6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid is COC(=O)c1ncc(C(=O)O)cc1OCC(C)C.
What is the InChIKey of 6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid?
The InChIKey is RMUXLLNMEBPBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-7(2)6-18-9-4-8(11(14)15)5-13-10(9)12(16)17-3/h4-5,7H,6H2,1-3H3,(H,14,15).
What are the key properties of 6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid?
6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid has a molecular weight of 253.25 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 19960366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).