4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid

C9H9F2NO4 — CID 118828805

IUPAC4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)cc(C(F)F)c1OC
InChIInChI=1S/C9H9F2NO4/c1-15-6-4(7(10)11)3-5(9(13)14)12-8(6)16-2/h3,7H,1-2H3,(H,13,14)
InChIKeyCUBZYIVXBLCUIV-UHFFFAOYSA-N
MW233.17 g/mol
LogP1.73
Rot. Bonds4

About 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid

4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid (PubChem CID 118828805) has the molecular formula C9H9F2NO4 and a molecular weight of 233.17 g/mol. Its IUPAC name is 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid
PubChem CID118828805
Molecular FormulaC9H9F2NO4
Molecular Weight233.17 g/mol
Exact Mass233.05
IUPAC Name4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)cc(C(F)F)c1OC
InChIInChI=1S/C9H9F2NO4/c1-15-6-4(7(10)11)3-5(9(13)14)12-8(6)16-2/h3,7H,1-2H3,(H,13,14)
InChIKeyCUBZYIVXBLCUIV-UHFFFAOYSA-N
XLogP1.73
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid 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

methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate
CID 134669232
4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylic acid
CID 118818405
5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid
CID 130087971
methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 134669578
6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid
CID 130100962
4-(difluoromethyl)-6-iodo-3-methoxypyridine-2-carboxylic acid
CID 118835420
4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride
CID 118824318
4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-carboxylic acid
CID 118846863
4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid
CID 118806000
1,5-dimethoxyisoquinoline-3-carboxylic acid
CID 57440903
4-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylic acid
CID 118812854
ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate
CID 133102147

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid (CID 118828805) is 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid is COc1nc(C(=O)O)cc(C(F)F)c1OC.
What is the InChIKey of 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid?
The InChIKey is CUBZYIVXBLCUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO4/c1-15-6-4(7(10)11)3-5(9(13)14)12-8(6)16-2/h3,7H,1-2H3,(H,13,14).
What are the key properties of 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid?
4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid has a molecular weight of 233.17 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid is sourced from PubChem (CID 118828805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).