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

C12H7F3N2O3 — CID 61396205

IUPAC3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1Oc1ncccc1C(F)(F)F
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)7-3-1-6-17-10(7)20-8-4-2-5-16-9(8)11(18)19/h1-6H,(H,18,19)
InChIKeyRRPLWWDYQCIWHS-UHFFFAOYSA-N
MW284.19 g/mol
LogP2.99
Rot. Bonds3

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

3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid (PubChem CID 61396205) has the molecular formula C12H7F3N2O3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
PubChem CID61396205
Molecular FormulaC12H7F3N2O3
Molecular Weight284.19 g/mol
Exact Mass284.04
IUPAC Name3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1Oc1ncccc1C(F)(F)F
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)7-3-1-6-17-10(7)20-8-4-2-5-16-9(8)11(18)19/h1-6H,(H,18,19)
InChIKeyRRPLWWDYQCIWHS-UHFFFAOYSA-N
XLogP2.99
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 60869902
4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 61396049
N-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 171925814
3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 61395439
methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162621627
3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983947
3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid
CID 156632330
4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]methyl]benzoic acid
CID 122032156
N-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62296366
O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine
CID 75176185
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]pyridine-2-carboxylic acid
CID 114787467
3-quinolin-5-yloxypyrazine-2-carboxylic acid
CID 103045923

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid (CID 61396205) is 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid is O=C(O)c1ncccc1Oc1ncccc1C(F)(F)F.
What is the InChIKey of 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid?
The InChIKey is RRPLWWDYQCIWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O3/c13-12(14,15)7-3-1-6-17-10(7)20-8-4-2-5-16-9(8)11(18)19/h1-6H,(H,18,19).
What are the key properties of 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid?
3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid has a molecular weight of 284.19 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 61396205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).