3-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroxypropanenitrile

C10H12N2O4 — CID 171870701

IUPAC3-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroxypropanenitrile
SMILESCOc1ccc(C(O)C(O)C#N)c(OC)n1
InChIInChI=1S/C10H12N2O4/c1-15-8-4-3-6(10(12-8)16-2)9(14)7(13)5-11/h3-4,7,9,13-14H,1-2H3
InChIKeyNVFGFUQCXBAHEX-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.02
Rot. Bonds4

About 3-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroxypropanenitrile

3-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroxypropanenitrile (PubChem CID 171870701) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroxypropanenitrile.

Molecular Properties

Compound Name3-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroxypropanenitrile
PubChem CID171870701
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroxypropanenitrile
SMILESCOc1ccc(C(O)C(O)C#N)c(OC)n1
InChIInChI=1S/C10H12N2O4/c1-15-8-4-3-6(10(12-8)16-2)9(14)7(13)5-11/h3-4,7,9,13-14H,1-2H3
InChIKeyNVFGFUQCXBAHEX-UHFFFAOYSA-N
XLogP0.02
TPSA95.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroxypropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-dimethoxy-3-pyridinyl)methanediol
CID 134064056
1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol
CID 171872771
4-chloro-1-(2,6-dimethoxy-3-pyridinyl)butane-1,2-diol
CID 171894271
3-(2-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanenitrile
CID 171870108
2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]propanenitrile
CID 171871161
3-(2-formyl-4-methoxyphenyl)-2,3-dihydroxypropanenitrile
CID 171870516
3-(4-chloro-2-methoxyphenyl)-2,3-dihydroxypropanenitrile
CID 171870123
6-methoxy-3-propan-2-ylpyridine-2-carbonitrile
CID 167457221
3-(3,5-dimethoxyphenyl)-2,3-dihydroxypropanenitrile
CID 171870525
2,3-dihydroxy-3-(2-methoxy-4-nitrophenyl)propanenitrile
CID 171870948
3-(2-cyano-1,2-dihydroxyethyl)-2-methoxybenzoic acid
CID 171870836
2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid
CID 170824081

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroxypropanenitrile?
The IUPAC name of 3-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroxypropanenitrile (CID 171870701) is 3-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroxypropanenitrile.
What is the SMILES notation for 3-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroxypropanenitrile?
The canonical SMILES for 3-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroxypropanenitrile is COc1ccc(C(O)C(O)C#N)c(OC)n1.
What is the InChIKey of 3-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroxypropanenitrile?
The InChIKey is NVFGFUQCXBAHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-15-8-4-3-6(10(12-8)16-2)9(14)7(13)5-11/h3-4,7,9,13-14H,1-2H3.
What are the key properties of 3-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroxypropanenitrile?
3-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroxypropanenitrile has a molecular weight of 224.22 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroxypropanenitrile is sourced from PubChem (CID 171870701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).