2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetic acid;hydrochloride

C10H14ClNO3 — CID 2843434

IUPAC2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetic acid;hydrochloride
SMILESCCc1nc(C)ccc1OCC(=O)O.Cl
InChIInChI=1S/C10H13NO3.ClH/c1-3-8-9(14-6-10(12)13)5-4-7(2)11-8;/h4-5H,3,6H2,1-2H3,(H,12,13);1H
InChIKeyKAONQUPYFKRWLP-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.84
Rot. Bonds4

About 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetic acid;hydrochloride

2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetic acid;hydrochloride (PubChem CID 2843434) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetic acid;hydrochloride
PubChem CID2843434
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetic acid;hydrochloride
SMILESCCc1nc(C)ccc1OCC(=O)O.Cl
InChIInChI=1S/C10H13NO3.ClH/c1-3-8-9(14-6-10(12)13)5-4-7(2)11-8;/h4-5H,3,6H2,1-2H3,(H,12,13);1H
InChIKeyKAONQUPYFKRWLP-UHFFFAOYSA-N
XLogP1.84
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Pyridin-3-yloxy)acetic acid
CID 3159630
N-(3-Dimethylamino-propyl)-2-(2-ethyl-6-methyl-pyridin-3-yloxy)-acetamide
CID 655103
N,N-Diethyl-2-(2-ethyl-6-methyl-pyridin-3-yloxy)-acetamide
CID 9549514
[(2-Ethyl-6-methylpyridin-3-yl)oxy]acetic acid
CID 742711
[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]acetic acid
CID 776871
Ethyl 6-methyl-3-pyridyloxyacetate
CID 4614663
Ethyl 2-(pyridin-3-yloxy)acetate
CID 4763754
N,N-diethyl-2-[(2-ethyl-6-methylpyridin-3-yl)oxy]acetamide
CID 567948
Acetic acid, ((2,4,6-triiodo-3-pyridyl)oxy)-
CID 55990
Acetamide, N-(3-(dimethylamino)propyl)-2-((2-ethyl-6-methyl-3-pyridinyl)oxy)-, ethanedioate (1:2)
CID 2843268
Acetic acid, ((2-ethyl-6-methyl-3-pyridinyl)oxy)-, 2-(dimethylamino)ethyl ester, ethanedioate (1:2)
CID 3076743
Acetic acid, ((2-ethyl-6-methyl-3-pyridinyl)oxy)-, 2-(diethylamino)ethyl ester, ethanedioate (1:2)
CID 3076745

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetic acid;hydrochloride?
The IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetic acid;hydrochloride (CID 2843434) is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetic acid;hydrochloride?
The canonical SMILES for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetic acid;hydrochloride is CCc1nc(C)ccc1OCC(=O)O.Cl.
What is the InChIKey of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetic acid;hydrochloride?
The InChIKey is KAONQUPYFKRWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.ClH/c1-3-8-9(14-6-10(12)13)5-4-7(2)11-8;/h4-5H,3,6H2,1-2H3,(H,12,13);1H.
What are the key properties of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetic acid;hydrochloride?
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetic acid;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetic acid;hydrochloride is sourced from PubChem (CID 2843434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).