3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

C14H8F6N2O2 — CID 169133743

IUPAC3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESNc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1C(=O)O
InChIInChI=1S/C14H8F6N2O2/c15-13(16,17)7-3-6(4-8(5-7)14(18,19)20)10-2-1-9(21)11(22-10)12(23)24/h1-5H,21H2,(H,23,24)
InChIKeyWQCYIVHWMLCPLA-UHFFFAOYSA-N
MW350.22 g/mol
LogP4.07
Rot. Bonds2

About 3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 169133743) has the molecular formula C14H8F6N2O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
PubChem CID169133743
Molecular FormulaC14H8F6N2O2
Molecular Weight350.22 g/mol
Exact Mass350.05
IUPAC Name3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESNc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1C(=O)O
InChIInChI=1S/C14H8F6N2O2/c15-13(16,17)7-3-6(4-8(5-7)14(18,19)20)10-2-1-9(21)11(22-10)12(23)24/h1-5H,21H2,(H,23,24)
InChIKeyWQCYIVHWMLCPLA-UHFFFAOYSA-N
XLogP4.07
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Phenylpyridine-2-carboxylic Acid
CID 2762884
6-(7-Amino-5,8-dioxo-5,8-dihydroquinolin-2-yl)picolinic acid
CID 13891339
4-(4-Aminophenyl)pyridine-2,6-dicarboxylic acid
CID 102499911
4-(3-Aminophenyl)pyridine-2,6-dicarboxylic acid
CID 137631612
4-(3-Carboxyphenyl)pyridine-2,6-dicarboxylic acid
CID 137648849
5-[[3-(Trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid
CID 12640203
6-[(E)-2-phenylvinyl]pyridine-2-carboxylic acid
CID 13209521
6-(2-Phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558381
5-(Aminomethyl)-4-(4-fluorophenyl)-6-methylpyridine-2-carboxylic acid
CID 51356960
6-Methyl-3-(trifluoromethyl)picolinic acid
CID 105456971
6-Phenylpyridine-2-carboxylic acid hydrochloride
CID 132354056
[[Amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 6-(trifluoromethyl)pyridine-2-carboxylate
CID 2746377

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (CID 169133743) is 3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is Nc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1C(=O)O.
What is the InChIKey of 3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is WQCYIVHWMLCPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6N2O2/c15-13(16,17)7-3-6(4-8(5-7)14(18,19)20)10-2-1-9(21)11(22-10)12(23)24/h1-5H,21H2,(H,23,24).
What are the key properties of 3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 350.22 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 169133743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).