3-cyano-4-methoxypyridine-2-carboxylic acid

C8H6N2O3 — CID 130966526

IUPAC3-cyano-4-methoxypyridine-2-carboxylic acid
SMILESCOc1ccnc(C(=O)O)c1C#N
InChIInChI=1S/C8H6N2O3/c1-13-6-2-3-10-7(8(11)12)5(6)4-9/h2-3H,1H3,(H,11,12)
InChIKeyKZIYORHJEGTRNJ-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.66
Rot. Bonds2

About 3-cyano-4-methoxypyridine-2-carboxylic acid

3-cyano-4-methoxypyridine-2-carboxylic acid (PubChem CID 130966526) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 3-cyano-4-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-cyano-4-methoxypyridine-2-carboxylic acid
PubChem CID130966526
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name3-cyano-4-methoxypyridine-2-carboxylic acid
SMILESCOc1ccnc(C(=O)O)c1C#N
InChIInChI=1S/C8H6N2O3/c1-13-6-2-3-10-7(8(11)12)5(6)4-9/h2-3H,1H3,(H,11,12)
InChIKeyKZIYORHJEGTRNJ-UHFFFAOYSA-N
XLogP0.66
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide
CID 170856608
4-amino-3-cyanopyridine-2-carboxylic acid
CID 118812153
5,8-dimethoxyisoquinoline-1-carboxylic acid
CID 82390143
4-methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
CID 1470924
6,7-dimethoxyisoquinoline-1-carboxylic acid;hydrochloride
CID 166176614
3-cyano-2-ethyl-4-methoxybenzoic acid
CID 131530269
1-(4-methoxy-3-methyl-2-pyridinyl)ethanone
CID 84652084
3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid
CID 19960346
2-(chloromethyl)-3-cyano-4-methoxybenzoic acid
CID 131608616
3-bromo-4-cyano-5-methoxybenzoic acid
CID 131142981
2-(2-fluorophenyl)-4-methoxypyridine-3-carbonitrile
CID 72942917
2-(4-fluorophenoxy)-4-methoxypyridine-3-carbonitrile
CID 1484341

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-methoxypyridine-2-carboxylic acid?
The IUPAC name of 3-cyano-4-methoxypyridine-2-carboxylic acid (CID 130966526) is 3-cyano-4-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 3-cyano-4-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 3-cyano-4-methoxypyridine-2-carboxylic acid is COc1ccnc(C(=O)O)c1C#N.
What is the InChIKey of 3-cyano-4-methoxypyridine-2-carboxylic acid?
The InChIKey is KZIYORHJEGTRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c1-13-6-2-3-10-7(8(11)12)5(6)4-9/h2-3H,1H3,(H,11,12).
What are the key properties of 3-cyano-4-methoxypyridine-2-carboxylic acid?
3-cyano-4-methoxypyridine-2-carboxylic acid has a molecular weight of 178.15 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 130966526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).