4-(3-ethylphenoxy)pyridine-2-carboxylic acid

C14H13NO3 — CID 43326028

IUPAC4-(3-ethylphenoxy)pyridine-2-carboxylic acid
SMILESCCc1cccc(Oc2ccnc(C(=O)O)c2)c1
InChIInChI=1S/C14H13NO3/c1-2-10-4-3-5-11(8-10)18-12-6-7-15-13(9-12)14(16)17/h3-9H,2H2,1H3,(H,16,17)
InChIKeyVIQAQIBLOYYOQV-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.13
Rot. Bonds4

About 4-(3-ethylphenoxy)pyridine-2-carboxylic acid

4-(3-ethylphenoxy)pyridine-2-carboxylic acid (PubChem CID 43326028) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-(3-ethylphenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-ethylphenoxy)pyridine-2-carboxylic acid
PubChem CID43326028
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name4-(3-ethylphenoxy)pyridine-2-carboxylic acid
SMILESCCc1cccc(Oc2ccnc(C(=O)O)c2)c1
InChIInChI=1S/C14H13NO3/c1-2-10-4-3-5-11(8-10)18-12-6-7-15-13(9-12)14(16)17/h3-9H,2H2,1H3,(H,16,17)
InChIKeyVIQAQIBLOYYOQV-UHFFFAOYSA-N
XLogP3.13
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate
CID 106485855
4-(2-ethoxyphenoxy)pyridine-2-carboxylic acid
CID 43142917
4-(4-hydroxyphenoxy)pyridine-2-carboxylic acid
CID 69017649
N,N-dimethyl-4-[3-(methylaminomethyl)phenoxy]pyridine-2-carboxamide
CID 106486623
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040
4-butan-2-yloxypyridine-2-carboxylic acid
CID 60903768
5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid
CID 114203037
4-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid
CID 43326012
(2S)-2-(3-ethylphenoxy)propanoic acid
CID 10845483
4-decoxypyridine-2-carboxylic acid
CID 152529644
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110
N,N-diethyl-4-(3-hydroxyphenoxy)pyridine-2-carboxamide
CID 60871058

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3-ethylphenoxy)pyridine-2-carboxylic acid (CID 43326028) is 4-(3-ethylphenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3-ethylphenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3-ethylphenoxy)pyridine-2-carboxylic acid is CCc1cccc(Oc2ccnc(C(=O)O)c2)c1.
What is the InChIKey of 4-(3-ethylphenoxy)pyridine-2-carboxylic acid?
The InChIKey is VIQAQIBLOYYOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-10-4-3-5-11(8-10)18-12-6-7-15-13(9-12)14(16)17/h3-9H,2H2,1H3,(H,16,17).
What are the key properties of 4-(3-ethylphenoxy)pyridine-2-carboxylic acid?
4-(3-ethylphenoxy)pyridine-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 43326028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).