5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid

C7H5F3N2O2 — CID 130104260

IUPAC5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
SMILESNc1cc(C(F)F)c(C(=O)O)nc1F
InChIInChI=1S/C7H5F3N2O2/c8-5(9)2-1-3(11)6(10)12-4(2)7(13)14/h1,5H,11H2,(H,13,14)
InChIKeyABTLENROXYKVFW-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.44
Rot. Bonds2

About 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid

5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid (PubChem CID 130104260) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
PubChem CID130104260
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
SMILESNc1cc(C(F)F)c(C(=O)O)nc1F
InChIInChI=1S/C7H5F3N2O2/c8-5(9)2-1-3(11)6(10)12-4(2)7(13)14/h1,5H,11H2,(H,13,14)
InChIKeyABTLENROXYKVFW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid
CID 130080267
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid
CID 130081519
6-chloro-5-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102456
5-amino-3-(difluoromethyl)-6-fluoropyridine-2-sulfonamide
CID 130104457
5-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridin-3-amine
CID 130104126
3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098782
6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid
CID 130102887
6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 119008053
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide
CID 130072214
6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 119023037
5-(difluoromethyl)-2-fluoro-6-methoxypyridin-3-amine
CID 130103897
5-(difluoromethyl)-3,6-difluoropyridine-2-carboxamide
CID 119003203

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid?
The IUPAC name of 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid (CID 130104260) is 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid is Nc1cc(C(F)F)c(C(=O)O)nc1F.
What is the InChIKey of 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid?
The InChIKey is ABTLENROXYKVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-5(9)2-1-3(11)6(10)12-4(2)7(13)14/h1,5H,11H2,(H,13,14).
What are the key properties of 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid?
5-amino-3-(difluoromethyl)-6-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 5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 130104260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).