5-amino-4-(trifluoromethyl)pyridine-2-carboxylic acid

C7H5F3N2O2 — CID 131116980

IUPAC5-amino-4-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESNc1cnc(C(=O)O)cc1C(F)(F)F
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)3-1-5(6(13)14)12-2-4(3)11/h1-2H,11H2,(H,13,14)
InChIKeyBOZZHBVHLYPQRK-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.38
Rot. Bonds1

About 5-amino-4-(trifluoromethyl)pyridine-2-carboxylic acid

5-amino-4-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 131116980) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 5-amino-4-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID131116980
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name5-amino-4-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESNc1cnc(C(=O)O)cc1C(F)(F)F
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)3-1-5(6(13)14)12-2-4(3)11/h1-2H,11H2,(H,13,14)
InChIKeyBOZZHBVHLYPQRK-UHFFFAOYSA-N
XLogP1.38
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-fluoropyridine-2-carboxylic acid
CID 121230968
4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118821925
4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
2-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 53416466
5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 146037649
4-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 53223943
5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 102747023
(2S)-2-amino-2-[4-amino-3-(trifluoromethyl)phenyl]acetic acid
CID 66512963
5-amino-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 82610184
4-amino-3-bromo-5-(trifluoromethyl)benzoic acid;hydrochloride
CID 70624038
6-amino-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 56956170
5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylic acid
CID 21333395

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-4-(trifluoromethyl)pyridine-2-carboxylic acid (CID 131116980) is 5-amino-4-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-4-(trifluoromethyl)pyridine-2-carboxylic acid is Nc1cnc(C(=O)O)cc1C(F)(F)F.
What is the InChIKey of 5-amino-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is BOZZHBVHLYPQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-7(9,10)3-1-5(6(13)14)12-2-4(3)11/h1-2H,11H2,(H,13,14).
What are the key properties of 5-amino-4-(trifluoromethyl)pyridine-2-carboxylic acid?
5-amino-4-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 206.12 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 131116980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).