2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid

C7H4F3NO2 — CID 118809173

IUPAC2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)ncc1F
InChIInChI=1S/C7H4F3NO2/c8-4-2-11-5(6(9)10)1-3(4)7(12)13/h1-2,6H,(H,12,13)
InChIKeyFMOQRLUSTHMPIY-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.86
Rot. Bonds2

About 2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid

2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid (PubChem CID 118809173) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
PubChem CID118809173
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)ncc1F
InChIInChI=1S/C7H4F3NO2/c8-4-2-11-5(6(9)10)1-3(4)7(12)13/h1-2,6H,(H,12,13)
InChIKeyFMOQRLUSTHMPIY-UHFFFAOYSA-N
XLogP1.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(difluoromethyl)-2-fluoro-3-hydroxypyridine-4-carboxylic acid
CID 130079649
6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid
CID 130086233
4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118846246
6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 118826261
ethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 133091151
6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133103752
3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130109731
2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid
CID 119009190
5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid
CID 133088789
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119015836
4-bromo-6-(difluoromethyl)pyridine-3-carboxamide
CID 118851035
2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118834821

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid (CID 118809173) is 2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid is O=C(O)c1cc(C(F)F)ncc1F.
What is the InChIKey of 2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
The InChIKey is FMOQRLUSTHMPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-4-2-11-5(6(9)10)1-3(4)7(12)13/h1-2,6H,(H,12,13).
What are the key properties of 2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid has a molecular weight of 191.11 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 118809173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).