2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid

C9H9F2NO4 — CID 130100978

IUPAC2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid
SMILESCOc1cnc(C(F)F)c(C(=O)O)c1OC
InChIInChI=1S/C9H9F2NO4/c1-15-4-3-12-6(8(10)11)5(9(13)14)7(4)16-2/h3,8H,1-2H3,(H,13,14)
InChIKeyYYSURUZNUHNRKA-UHFFFAOYSA-N
MW233.17 g/mol
LogP1.73
Rot. Bonds4

About 2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid

2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid (PubChem CID 130100978) has the molecular formula C9H9F2NO4 and a molecular weight of 233.17 g/mol. Its IUPAC name is 2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid
PubChem CID130100978
Molecular FormulaC9H9F2NO4
Molecular Weight233.17 g/mol
Exact Mass233.05
IUPAC Name2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid
SMILESCOc1cnc(C(F)F)c(C(=O)O)c1OC
InChIInChI=1S/C9H9F2NO4/c1-15-4-3-12-6(8(10)11)5(9(13)14)7(4)16-2/h3,8H,1-2H3,(H,13,14)
InChIKeyYYSURUZNUHNRKA-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

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Related Compounds

2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118826032
2-(difluoromethyl)-5-methoxy-4-nitropyridine-3-carboxylic acid
CID 118831830
2-(difluoromethyl)-3,5-dimethoxypyridine-4-carboxamide
CID 118837482
2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride
CID 118832244
2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carboxamide
CID 118809416
2-(difluoromethyl)-3,4-difluoro-5-methoxypyridine
CID 130099673
2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118842969
methyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate
CID 134674417
ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134684705
ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate
CID 133101504
2-[6-(difluoromethyl)-5-methoxy-4-methyl-3-pyridinyl]acetic acid
CID 118837312
2-[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetic acid
CID 133085233

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid (CID 130100978) is 2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid is COc1cnc(C(F)F)c(C(=O)O)c1OC.
What is the InChIKey of 2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid?
The InChIKey is YYSURUZNUHNRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO4/c1-15-4-3-12-6(8(10)11)5(9(13)14)7(4)16-2/h3,8H,1-2H3,(H,13,14).
What are the key properties of 2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid?
2-(difluoromethyl)-4,5-dimethoxypyridine-3-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 2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid is sourced from PubChem (CID 130100978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).