2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid

C12H8F3N3O2 — CID 59811149

IUPAC2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid
SMILESNc1nc(-c2ncccc2C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)7-2-1-5-17-9(7)8-4-3-6(11(19)20)10(16)18-8/h1-5H,(H2,16,18)(H,19,20)
InChIKeyNGJNUPMYCRSLES-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.44
Rot. Bonds2

About 2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid

2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid (PubChem CID 59811149) has the molecular formula C12H8F3N3O2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid
PubChem CID59811149
Molecular FormulaC12H8F3N3O2
Molecular Weight283.21 g/mol
Exact Mass283.06
IUPAC Name2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid
SMILESNc1nc(-c2ncccc2C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)7-2-1-5-17-9(7)8-4-3-6(11(19)20)10(16)18-8/h1-5H,(H2,16,18)(H,19,20)
InChIKeyNGJNUPMYCRSLES-UHFFFAOYSA-N
XLogP2.44
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-pyridin-2-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride
CID 174494020
ethyl 5-hydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridine-6-carboxylate
CID 135923345
methyl 3-amino-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-carboxylate
CID 23055532
2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid
CID 174707233
2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 112694386
5-[4-(trifluoromethyl)anilino]-2-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-7-carboxylic acid
CID 58628195
5-amino-1,6-naphthyridine-8-carboxylic acid
CID 73425151
6-(trifluoromethyl)quinoline-8-carboxylic acid
CID 129318996
2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 22030050
3-amino-N-(4-piperidin-1-yl-3-pyridinyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 162556222
4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol
CID 154216867
3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983947

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid (CID 59811149) is 2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid is Nc1nc(-c2ncccc2C(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid?
The InChIKey is NGJNUPMYCRSLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2/c13-12(14,15)7-2-1-5-17-9(7)8-4-3-6(11(19)20)10(16)18-8/h1-5H,(H2,16,18)(H,19,20).
What are the key properties of 2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid?
2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid has a molecular weight of 283.21 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 59811149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).