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

C12H7F4N3O2 — CID 151240746

IUPAC4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc(C(F)(F)F)nc2)nc(C(=O)O)c1F
InChIInChI=1S/C12H7F4N3O2/c13-9-6(17)3-7(19-10(9)11(20)21)5-1-2-8(18-4-5)12(14,15)16/h1-4H,(H2,17,19)(H,20,21)
InChIKeyNQGINBBSQUZJIE-UHFFFAOYSA-N
MW301.20 g/mol
LogP2.58
Rot. Bonds2

About 4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid

4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid (PubChem CID 151240746) has the molecular formula C12H7F4N3O2 and a molecular weight of 301.20 g/mol. Its IUPAC name is 4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid
PubChem CID151240746
Molecular FormulaC12H7F4N3O2
Molecular Weight301.20 g/mol
Exact Mass301.05
IUPAC Name4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc(C(F)(F)F)nc2)nc(C(=O)O)c1F
InChIInChI=1S/C12H7F4N3O2/c13-9-6(17)3-7(19-10(9)11(20)21)5-1-2-8(18-4-5)12(14,15)16/h1-4H,(H2,17,19)(H,20,21)
InChIKeyNQGINBBSQUZJIE-UHFFFAOYSA-N
XLogP2.58
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid (CID 151240746) is 4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid is Nc1cc(-c2ccc(C(F)(F)F)nc2)nc(C(=O)O)c1F.
What is the InChIKey of 4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid?
The InChIKey is NQGINBBSQUZJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4N3O2/c13-9-6(17)3-7(19-10(9)11(20)21)5-1-2-8(18-4-5)12(14,15)16/h1-4H,(H2,17,19)(H,20,21).
What are the key properties of 4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid?
4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid has a molecular weight of 301.20 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 151240746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).