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

C7H5F3N2O2 — CID 130104261

IUPAC3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)ncc(C(F)F)c1F
InChIInChI=1S/C7H5F3N2O2/c8-3-2(6(9)10)1-12-5(4(3)11)7(13)14/h1,6H,11H2,(H,13,14)
InChIKeyGWWFFFRJJWXXSL-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.44
Rot. Bonds2

About 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid

3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid (PubChem CID 130104261) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
PubChem CID130104261
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)ncc(C(F)F)c1F
InChIInChI=1S/C7H5F3N2O2/c8-3-2(6(9)10)1-12-5(4(3)11)7(13)14/h1,6H,11H2,(H,13,14)
InChIKeyGWWFFFRJJWXXSL-UHFFFAOYSA-N
XLogP1.44
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098779
5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
CID 130099870
methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 130104314
4-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxamide
CID 118816543
3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 130081955
5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid
CID 130081512
4-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid
CID 130082328
4-(aminomethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 118823555
5-(chloromethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098409
2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119024376
5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130095648
5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 130096481

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid?
The IUPAC name of 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid (CID 130104261) is 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid is Nc1c(C(=O)O)ncc(C(F)F)c1F.
What is the InChIKey of 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid?
The InChIKey is GWWFFFRJJWXXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-3-2(6(9)10)1-12-5(4(3)11)7(13)14/h1,6H,11H2,(H,13,14).
What are the key properties of 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid?
3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid has a molecular weight of 206.12 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 130104261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).