4-amino-3-(trifluoromethyl)pyridine-2-carboxylic acid

C7H5F3N2O2 — CID 118817826

IUPAC4-amino-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESNc1ccnc(C(=O)O)c1C(F)(F)F
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)4-3(11)1-2-12-5(4)6(13)14/h1-2H,(H2,11,12)(H,13,14)
InChIKeyWTOGFMJTVBERHW-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.38
Rot. Bonds1

About 4-amino-3-(trifluoromethyl)pyridine-2-carboxylic acid

4-amino-3-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 118817826) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 4-amino-3-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID118817826
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name4-amino-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESNc1ccnc(C(=O)O)c1C(F)(F)F
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)4-3(11)1-2-12-5(4)6(13)14/h1-2H,(H2,11,12)(H,13,14)
InChIKeyWTOGFMJTVBERHW-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

2-[4-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118823447
2-bromo-3-(trifluoromethyl)pyridin-4-amine
CID 118846163
4-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118812170
3-phenoxy-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 154447093
4-amino-3-cyanopyridine-2-carboxylic acid
CID 118812153
2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133098315
2-methoxy-3-(trifluoromethyl)pyridin-4-amine
CID 118806319
3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983947
methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162621627
3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 19960297
5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 105449623
4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133084536

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-(trifluoromethyl)pyridine-2-carboxylic acid (CID 118817826) is 4-amino-3-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-(trifluoromethyl)pyridine-2-carboxylic acid is Nc1ccnc(C(=O)O)c1C(F)(F)F.
What is the InChIKey of 4-amino-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is WTOGFMJTVBERHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-7(9,10)4-3(11)1-2-12-5(4)6(13)14/h1-2H,(H2,11,12)(H,13,14).
What are the key properties of 4-amino-3-(trifluoromethyl)pyridine-2-carboxylic acid?
4-amino-3-(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 4-amino-3-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 118817826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).