2-ethyl-6-methylpyridin-1-ium-3-ol;pyridine-3-carboxylate

C14H16N2O3 — CID 142771597

IUPAC2-ethyl-6-methylpyridin-1-ium-3-ol;pyridine-3-carboxylate
SMILESCCc1[nH+]c(C)ccc1O.O=C([O-])c1cccnc1
InChIInChI=1S/C8H11NO.C6H5NO2/c1-3-7-8(10)5-4-6(2)9-7;8-6(9)5-2-1-3-7-4-5/h4-5,10H,3H2,1-2H3;1-4H,(H,8,9)
InChIKeyKGHZCJLWPVQELD-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.52
Rot. Bonds2

About 2-ethyl-6-methylpyridin-1-ium-3-ol;pyridine-3-carboxylate

2-ethyl-6-methylpyridin-1-ium-3-ol;pyridine-3-carboxylate (PubChem CID 142771597) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-ethyl-6-methylpyridin-1-ium-3-ol;pyridine-3-carboxylate.

Molecular Properties

Compound Name2-ethyl-6-methylpyridin-1-ium-3-ol;pyridine-3-carboxylate
PubChem CID142771597
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-ethyl-6-methylpyridin-1-ium-3-ol;pyridine-3-carboxylate
SMILESCCc1[nH+]c(C)ccc1O.O=C([O-])c1cccnc1
InChIInChI=1S/C8H11NO.C6H5NO2/c1-3-7-8(10)5-4-6(2)9-7;8-6(9)5-2-1-3-7-4-5/h4-5,10H,3H2,1-2H3;1-4H,(H,8,9)
InChIKeyKGHZCJLWPVQELD-UHFFFAOYSA-N
XLogP0.52
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

neodymium(3+);pyridine-3-carboxylate
CID 23619365
bis(pyridine-3-carboxylate);ruthenium(2+)
CID 87535471
5-methylpyridin-1-ium-2-amine;pyridine-3-carboxylate
CID 139078518
[(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate
CID 169075412
2-pyridin-3-ylpent-1-en-3-one
CID 155931297
N'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate
CID 22353992
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
(2S)-2-aminobutanedioate;chromium(4+);bis(pyridine-3-carboxylate)
CID 175782896
iodoethane;pyridine-3-carboxylic acid
CID 158495952
ethyl pyridine-3-carboperoxoate
CID 143721352
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
sodium 2-amino-2-(pyridine-3-carbonyl)butanoate
CID 68762841

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methylpyridin-1-ium-3-ol;pyridine-3-carboxylate?
The IUPAC name of 2-ethyl-6-methylpyridin-1-ium-3-ol;pyridine-3-carboxylate (CID 142771597) is 2-ethyl-6-methylpyridin-1-ium-3-ol;pyridine-3-carboxylate.
What is the SMILES notation for 2-ethyl-6-methylpyridin-1-ium-3-ol;pyridine-3-carboxylate?
The canonical SMILES for 2-ethyl-6-methylpyridin-1-ium-3-ol;pyridine-3-carboxylate is CCc1[nH+]c(C)ccc1O.O=C([O-])c1cccnc1.
What is the InChIKey of 2-ethyl-6-methylpyridin-1-ium-3-ol;pyridine-3-carboxylate?
The InChIKey is KGHZCJLWPVQELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C6H5NO2/c1-3-7-8(10)5-4-6(2)9-7;8-6(9)5-2-1-3-7-4-5/h4-5,10H,3H2,1-2H3;1-4H,(H,8,9).
What are the key properties of 2-ethyl-6-methylpyridin-1-ium-3-ol;pyridine-3-carboxylate?
2-ethyl-6-methylpyridin-1-ium-3-ol;pyridine-3-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methylpyridin-1-ium-3-ol;pyridine-3-carboxylate is sourced from PubChem (CID 142771597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).