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

C7H5F3N2O2 — CID 130104265

IUPAC4-amino-2-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
SMILESNc1c(F)cnc(C(F)F)c1C(=O)O
InChIInChI=1S/C7H5F3N2O2/c8-2-1-12-5(6(9)10)3(4(2)11)7(13)14/h1,6H,(H2,11,12)(H,13,14)
InChIKeyOKNPEPLMERHYCX-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.44
Rot. Bonds2

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

4-amino-2-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid (PubChem CID 130104265) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 4-amino-2-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
PubChem CID130104265
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name4-amino-2-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
SMILESNc1c(F)cnc(C(F)F)c1C(=O)O
InChIInChI=1S/C7H5F3N2O2/c8-2-1-12-5(6(9)10)3(4(2)11)7(13)14/h1,6H,(H2,11,12)(H,13,14)
InChIKeyOKNPEPLMERHYCX-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

4-amino-2-(difluoromethyl)-5-fluoropyridine-3-carboxamide
CID 118817125
3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130109731
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carboxylic acid
CID 118837564
2-(difluoromethyl)-3,5-difluoropyridin-4-amine
CID 118812171
2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 119001693
5-amino-2-(difluoromethyl)-3-methylpyridine-4-carboxylic acid
CID 130106575
2-(difluoromethyl)-3-fluoro-5-iodopyridine-4-carboxylic acid
CID 118837172
6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 118826261
ethyl 4-(aminomethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 133104245
3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid
CID 133102626
2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid
CID 130100978
4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 118812572

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid?
The IUPAC name of 4-amino-2-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid (CID 130104265) is 4-amino-2-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-2-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid is Nc1c(F)cnc(C(F)F)c1C(=O)O.
What is the InChIKey of 4-amino-2-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid?
The InChIKey is OKNPEPLMERHYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-2-1-12-5(6(9)10)3(4(2)11)7(13)14/h1,6H,(H2,11,12)(H,13,14).
What are the key properties of 4-amino-2-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid?
4-amino-2-(difluoromethyl)-5-fluoropyridine-3-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 4-amino-2-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 130104265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).