5-isocyano-3-methoxypyridine-2-carboxylic acid

C8H6N2O3 — CID 123528832

IUPAC5-isocyano-3-methoxypyridine-2-carboxylic acid
SMILES[C-]#[N+]c1cnc(C(=O)O)c(OC)c1
InChIInChI=1S/C8H6N2O3/c1-9-5-3-6(13-2)7(8(11)12)10-4-5/h3-4H,2H3,(H,11,12)
InChIKeyYGKHCSISIQUPLP-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.34
Rot. Bonds2

About 5-isocyano-3-methoxypyridine-2-carboxylic acid

5-isocyano-3-methoxypyridine-2-carboxylic acid (PubChem CID 123528832) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 5-isocyano-3-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-isocyano-3-methoxypyridine-2-carboxylic acid
PubChem CID123528832
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name5-isocyano-3-methoxypyridine-2-carboxylic acid
SMILES[C-]#[N+]c1cnc(C(=O)O)c(OC)c1
InChIInChI=1S/C8H6N2O3/c1-9-5-3-6(13-2)7(8(11)12)10-4-5/h3-4H,2H3,(H,11,12)
InChIKeyYGKHCSISIQUPLP-UHFFFAOYSA-N
XLogP1.34
TPSA63.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
CID 22923874
5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
3,5-dimethoxy-4-(111C)methylidyneazaniumylbenzoic acid
CID 177120819
3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid
CID 22923898
3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid
CID 67716166
3-methoxy-5-[(5-methyl-1,3-oxazol-2-yl)amino]pyridine-2-carboxylic acid
CID 155585490
4,6-dimethoxypyridine-3-carboxylic acid
CID 69266328
6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid
CID 90819541
1-(5-amino-3-methoxy-2-pyridinyl)ethanone
CID 130047706
2-amino-5-methoxypyrimidine-4-carboxylic acid
CID 83816093
5,6-dimethoxypyridine-3-carboxylic acid
CID 12563086
2-ethyl-4-[4-(5-isocyano-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
CID 172510491

Frequently Asked Questions

What is the IUPAC name of 5-isocyano-3-methoxypyridine-2-carboxylic acid?
The IUPAC name of 5-isocyano-3-methoxypyridine-2-carboxylic acid (CID 123528832) is 5-isocyano-3-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-isocyano-3-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 5-isocyano-3-methoxypyridine-2-carboxylic acid is [C-]#[N+]c1cnc(C(=O)O)c(OC)c1.
What is the InChIKey of 5-isocyano-3-methoxypyridine-2-carboxylic acid?
The InChIKey is YGKHCSISIQUPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c1-9-5-3-6(13-2)7(8(11)12)10-4-5/h3-4H,2H3,(H,11,12).
What are the key properties of 5-isocyano-3-methoxypyridine-2-carboxylic acid?
5-isocyano-3-methoxypyridine-2-carboxylic acid has a molecular weight of 178.15 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-3-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 123528832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).