6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid

C15H12N2O3 — CID 134204717

IUPAC6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid
SMILESCCc1nc(Oc2cccc(C#N)c2)ccc1C(=O)O
InChIInChI=1S/C15H12N2O3/c1-2-13-12(15(18)19)6-7-14(17-13)20-11-5-3-4-10(8-11)9-16/h3-8H,2H2,1H3,(H,18,19)
InChIKeyHUSGQCPGPZLPNP-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.01
Rot. Bonds4

About 6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid

6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid (PubChem CID 134204717) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid
PubChem CID134204717
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid
SMILESCCc1nc(Oc2cccc(C#N)c2)ccc1C(=O)O
InChIInChI=1S/C15H12N2O3/c1-2-13-12(15(18)19)6-7-14(17-13)20-11-5-3-4-10(8-11)9-16/h3-8H,2H2,1H3,(H,18,19)
InChIKeyHUSGQCPGPZLPNP-UHFFFAOYSA-N
XLogP3.01
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis(3-cyanophenoxy)-N,N-dimethylpyridine-3-carboxamide
CID 10596169
methyl 2-ethyl-6-phenoxypyridine-3-carboxylate
CID 134204658
5-bromo-2-(3-cyanophenoxy)benzoic acid
CID 114061355
4-(3-cyanophenoxy)naphthalene-1-carboxylic acid
CID 174753689
3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile
CID 43262343
(E)-3-[6-(3-cyanophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80633791
3-(3-ethylphenoxy)benzonitrile
CID 66843456
2-[2-(3-cyanophenoxy)ethoxy]benzoic acid
CID 43532247
3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80941056
3-[(4-cyano-6-methyl-2-pyridinyl)oxy]benzoic acid
CID 114770378
4-[(3-cyanophenoxy)methyl]-2-fluorobenzoic acid
CID 106698261
4-chloro-2-(3-cyanophenoxy)-1,3-thiazole-5-carboxylic acid
CID 80693087

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid?
The IUPAC name of 6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid (CID 134204717) is 6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid is CCc1nc(Oc2cccc(C#N)c2)ccc1C(=O)O.
What is the InChIKey of 6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid?
The InChIKey is HUSGQCPGPZLPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-2-13-12(15(18)19)6-7-14(17-13)20-11-5-3-4-10(8-11)9-16/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of 6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid?
6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid is sourced from PubChem (CID 134204717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).