2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid

C14H21NO3 — CID 113379615

IUPAC2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(OC(C)CC(C)C)n1
InChIInChI=1S/C14H21NO3/c1-5-12-7-11(14(16)17)8-13(15-12)18-10(4)6-9(2)3/h7-10H,5-6H2,1-4H3,(H,16,17)
InChIKeyQDFZCHUENLGDPB-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.16
Rot. Bonds6

About 2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid

2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid (PubChem CID 113379615) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid
PubChem CID113379615
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(OC(C)CC(C)C)n1
InChIInChI=1S/C14H21NO3/c1-5-12-7-11(14(16)17)8-13(15-12)18-10(4)6-9(2)3/h7-10H,5-6H2,1-4H3,(H,16,17)
InChIKeyQDFZCHUENLGDPB-UHFFFAOYSA-N
XLogP3.16
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
CID 104560469
2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid
CID 113379603
2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid
CID 104706888
2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid
CID 151938896
2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid
CID 84692631
2-(diethylamino)-6-ethylpyridine-4-carboxylic acid
CID 58418069
2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid
CID 113379634
2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid
CID 104762163
2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid
CID 113457836
6-(4-methylpentan-2-yloxy)pyridazine-3-carboxylic acid
CID 60791315
N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine
CID 80942333
2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid
CID 57437203

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid (CID 113379615) is 2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(OC(C)CC(C)C)n1.
What is the InChIKey of 2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid?
The InChIKey is QDFZCHUENLGDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-12-7-11(14(16)17)8-13(15-12)18-10(4)6-9(2)3/h7-10H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid?
2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 113379615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).