6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid

C14H13NO3 — CID 174420706

IUPAC6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid
SMILESCCc1cc(-c2cccc(C(=O)O)n2)ccc1O
InChIInChI=1S/C14H13NO3/c1-2-9-8-10(6-7-13(9)16)11-4-3-5-12(15-11)14(17)18/h3-8,16H,2H2,1H3,(H,17,18)
InChIKeyXRMDSPGCBZRARW-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.71
Rot. Bonds3

About 6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid

6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid (PubChem CID 174420706) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid
PubChem CID174420706
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid
SMILESCCc1cc(-c2cccc(C(=O)O)n2)ccc1O
InChIInChI=1S/C14H13NO3/c1-2-9-8-10(6-7-13(9)16)11-4-3-5-12(15-11)14(17)18/h3-8,16H,2H2,1H3,(H,17,18)
InChIKeyXRMDSPGCBZRARW-UHFFFAOYSA-N
XLogP2.71
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
CID 174420705
6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid
CID 141058986
6-naphthalen-2-ylpyridine-2-carboxylic acid
CID 158131447
2,6-bis(3,4-diethylphenyl)pyridine
CID 68719392
6-(3-fluorophenyl)pyridine-2-carboxylic acid
CID 24730139
6-(3-bromophenyl)pyridine-2-carboxylic acid
CID 82378732
6-(3,5-dichlorophenyl)pyridine-2-carboxylic acid
CID 24730153
2-ethyl-4-(3-hydroxyphenyl)phenol
CID 101302560
methyl 6-(4-ethenyl-3-ethylphenyl)pyridine-2-carboxylate
CID 22930998
6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid
CID 11461037
2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol
CID 151136569
[6-(3,4-dihydroxyphenyl)-2-pyridinyl]-(4-fluoro-3-hydroxyphenyl)methanone
CID 135567153

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid (CID 174420706) is 6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid is CCc1cc(-c2cccc(C(=O)O)n2)ccc1O.
What is the InChIKey of 6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is XRMDSPGCBZRARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-9-8-10(6-7-13(9)16)11-4-3-5-12(15-11)14(17)18/h3-8,16H,2H2,1H3,(H,17,18).
What are the key properties of 6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid?
6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 174420706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).