6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid

C14H10N2O4 — CID 16792097

IUPAC6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid
SMILESCOc1cc(C#N)ccc1Oc1ccc(C(=O)O)cn1
InChIInChI=1S/C14H10N2O4/c1-19-12-6-9(7-15)2-4-11(12)20-13-5-3-10(8-16-13)14(17)18/h2-6,8H,1H3,(H,17,18)
InChIKeyUHOAVILHQLEYKA-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.45
Rot. Bonds4

About 6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid

6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid (PubChem CID 16792097) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid
PubChem CID16792097
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid
SMILESCOc1cc(C#N)ccc1Oc1ccc(C(=O)O)cn1
InChIInChI=1S/C14H10N2O4/c1-19-12-6-9(7-15)2-4-11(12)20-13-5-3-10(8-16-13)14(17)18/h2-6,8H,1H3,(H,17,18)
InChIKeyUHOAVILHQLEYKA-UHFFFAOYSA-N
XLogP2.45
TPSA92.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61396265
4-[[5-(chloromethyl)-2-pyridinyl]oxy]-3-methoxybenzonitrile
CID 80628683
4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
CID 21463678
4-(4-cyano-2-methoxyphenoxy)pyridine-2-carboxylic acid
CID 43325992
(4-cyano-2-methoxyphenyl) 6-chloropyridine-3-carboxylate
CID 26892085
6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 43589848
4-(4-cyano-2-methoxyphenoxy)-2-methylbenzoic acid
CID 62134443
ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate
CID 31536724
5-chloro-6-(4-cyano-2-fluorophenoxy)pyridine-3-carboxylic acid
CID 107670301
4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
CID 46484895
2-(4-cyano-2-methoxyphenoxy)-2-methylpropanoic acid
CID 114992062
2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid
CID 113281460

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid (CID 16792097) is 6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid is COc1cc(C#N)ccc1Oc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid?
The InChIKey is UHOAVILHQLEYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c1-19-12-6-9(7-15)2-4-11(12)20-13-5-3-10(8-16-13)14(17)18/h2-6,8H,1H3,(H,17,18).
What are the key properties of 6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid?
6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid has a molecular weight of 270.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 16792097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).