6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid

C10H13NO4 — CID 90819541

IUPAC6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid
SMILESCCc1nc(C(=O)O)c(OC)cc1OC
InChIInChI=1S/C10H13NO4/c1-4-6-7(14-2)5-8(15-3)9(11-6)10(12)13/h5H,4H2,1-3H3,(H,12,13)
InChIKeyNQSDXMXVEVNUDS-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.36
Rot. Bonds4

About 6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid

6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid (PubChem CID 90819541) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid
PubChem CID90819541
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid
SMILESCCc1nc(C(=O)O)c(OC)cc1OC
InChIInChI=1S/C10H13NO4/c1-4-6-7(14-2)5-8(15-3)9(11-6)10(12)13/h5H,4H2,1-3H3,(H,12,13)
InChIKeyNQSDXMXVEVNUDS-UHFFFAOYSA-N
XLogP1.36
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid
CID 118804374
5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
ethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134681708
5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid
CID 154126270
2-amino-5-methoxypyrimidine-4-carboxylic acid
CID 83816093
6-acetyl-3-methoxypyridine-2-carboxylic acid
CID 83818532
3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid
CID 22923898
3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
CID 22923874
6-cyano-5-(difluoromethyl)-3-methoxypyridine-2-carboxylic acid
CID 130078126
3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 105478828
3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid
CID 67716166
5-isocyano-3-methoxypyridine-2-carboxylic acid
CID 123528832

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid?
The IUPAC name of 6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid (CID 90819541) is 6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid?
The canonical SMILES for 6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid is CCc1nc(C(=O)O)c(OC)cc1OC.
What is the InChIKey of 6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid?
The InChIKey is NQSDXMXVEVNUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-4-6-7(14-2)5-8(15-3)9(11-6)10(12)13/h5H,4H2,1-3H3,(H,12,13).
What are the key properties of 6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid?
6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid is sourced from PubChem (CID 90819541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).