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

C7H5F3N2O2 — CID 119001693

IUPAC2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
SMILESNc1ncc(F)c(C(=O)O)c1C(F)F
InChIInChI=1S/C7H5F3N2O2/c8-2-1-12-6(11)4(5(9)10)3(2)7(13)14/h1,5H,(H2,11,12)(H,13,14)
InChIKeyABDMDSNROGRUGB-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.44
Rot. Bonds2

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

2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid (PubChem CID 119001693) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
PubChem CID119001693
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
SMILESNc1ncc(F)c(C(=O)O)c1C(F)F
InChIInChI=1S/C7H5F3N2O2/c8-2-1-12-6(11)4(5(9)10)3(2)7(13)14/h1,5H,(H2,11,12)(H,13,14)
InChIKeyABDMDSNROGRUGB-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(difluoromethyl)-5-methylpyridine-4-carboxylic acid
CID 118996389
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119006652
2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130081925
2-amino-5-chloro-3-(difluoromethyl)pyridine-4-carboxamide
CID 119014359
3-(difluoromethyl)-5-fluoro-4-methylpyridin-2-amine
CID 119000809
3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130109731
4-amino-2-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 130104265
2-amino-3-(difluoromethyl)-5-hydroxypyridine-4-carboxamide
CID 119009453
4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 118812572
2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118990891
6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118994678
6-amino-4-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 130107574

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid (CID 119001693) is 2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid is Nc1ncc(F)c(C(=O)O)c1C(F)F.
What is the InChIKey of 2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
The InChIKey is ABDMDSNROGRUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-2-1-12-6(11)4(5(9)10)3(2)7(13)14/h1,5H,(H2,11,12)(H,13,14).
What are the key properties of 2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid?
2-amino-3-(difluoromethyl)-5-fluoropyridine-4-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 2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 119001693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).