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

C7H5F3N2O2 — CID 119006652

IUPAC6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
SMILESNc1ncc(C(=O)O)c(F)c1C(F)F
InChIInChI=1S/C7H5F3N2O2/c8-4-2(7(13)14)1-12-6(11)3(4)5(9)10/h1,5H,(H2,11,12)(H,13,14)
InChIKeyLGRNQQVAROZRLB-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.44
Rot. Bonds2

About 6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid

6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid (PubChem CID 119006652) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
PubChem CID119006652
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
SMILESNc1ncc(C(=O)O)c(F)c1C(F)F
InChIInChI=1S/C7H5F3N2O2/c8-4-2(7(13)14)1-12-6(11)3(4)5(9)10/h1,5H,(H2,11,12)(H,13,14)
InChIKeyLGRNQQVAROZRLB-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

6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118994678
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119015836
6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
CID 118995761
6-amino-4-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 130107574
2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 119001693
4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid
CID 118828922
2-amino-3-(difluoromethyl)-5-methylpyridine-4-carboxylic acid
CID 118996389
5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine
CID 119016781
6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130102239
4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118839306
2-amino-5-chloro-3-(difluoromethyl)pyridine-4-carboxamide
CID 119014359
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119020377

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid?
The IUPAC name of 6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid (CID 119006652) is 6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid is Nc1ncc(C(=O)O)c(F)c1C(F)F.
What is the InChIKey of 6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid?
The InChIKey is LGRNQQVAROZRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-4-2(7(13)14)1-12-6(11)3(4)5(9)10/h1,5H,(H2,11,12)(H,13,14).
What are the key properties of 6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid?
6-amino-5-(difluoromethyl)-4-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 6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 119006652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).