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

C7H4F3NO2 — CID 130096481

IUPAC5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C(F)F)c1F
InChIInChI=1S/C7H4F3NO2/c8-5-3(6(9)10)1-11-2-4(5)7(12)13/h1-2,6H,(H,12,13)
InChIKeyHSOMWBLZGJGJLG-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.86
Rot. Bonds2

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

5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid (PubChem CID 130096481) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
PubChem CID130096481
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C(F)F)c1F
InChIInChI=1S/C7H4F3NO2/c8-5-3(6(9)10)1-11-2-4(5)7(12)13/h1-2,6H,(H,12,13)
InChIKeyHSOMWBLZGJGJLG-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)-3,4-difluoropyridine-2-carboxylic acid
CID 130099870
3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130096484
4-fluoro-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 130766545
4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118846246
methyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 134673298
3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 130104261
2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119024376
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119015836
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119006652
5-fluoro-4-propan-2-ylpyridine-3-carboxylic acid
CID 84658926
4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid
CID 130097491
3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 130081955

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid (CID 130096481) is 5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid is O=C(O)c1cncc(C(F)F)c1F.
What is the InChIKey of 5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid?
The InChIKey is HSOMWBLZGJGJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-5-3(6(9)10)1-11-2-4(5)7(12)13/h1-2,6H,(H,12,13).
What are the key properties of 5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid?
5-(difluoromethyl)-4-fluoropyridine-3-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 5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 130096481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).