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

C7H4F3NO2 — CID 130096484

IUPAC3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1c(F)cncc1C(F)F
InChIInChI=1S/C7H4F3NO2/c8-4-2-11-1-3(6(9)10)5(4)7(12)13/h1-2,6H,(H,12,13)
InChIKeyTXESSCSPMRBMND-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.86
Rot. Bonds2

About 3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid

3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid (PubChem CID 130096484) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
PubChem CID130096484
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1c(F)cncc1C(F)F
InChIInChI=1S/C7H4F3NO2/c8-4-2-11-1-3(6(9)10)5(4)7(12)13/h1-2,6H,(H,12,13)
InChIKeyTXESSCSPMRBMND-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

5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 130096481
3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130109731
4-chloro-3-(difluoromethyl)-5-fluoropyridine
CID 130095389
2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119024376
5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
CID 130099870
2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 119001693
3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
CID 130096577
5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylic acid
CID 175730512
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 130075064
4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine
CID 130096329
2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130081925
5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid
CID 130085798

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid (CID 130096484) is 3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid is O=C(O)c1c(F)cncc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
The InChIKey is TXESSCSPMRBMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-4-2-11-1-3(6(9)10)5(4)7(12)13/h1-2,6H,(H,12,13).
What are the key properties of 3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
3-(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 3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 130096484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).