3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-4-carboxylic acid

C12H7F3N2O3 — CID 81443299

IUPAC3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Oc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)7-1-4-17-10(5-7)20-9-6-16-3-2-8(9)11(18)19/h1-6H,(H,18,19)
InChIKeyPKVNUCYVYCBEIN-UHFFFAOYSA-N
MW284.19 g/mol
LogP2.99
Rot. Bonds3

About 3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-4-carboxylic acid

3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-4-carboxylic acid (PubChem CID 81443299) has the molecular formula C12H7F3N2O3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-4-carboxylic acid
PubChem CID81443299
Molecular FormulaC12H7F3N2O3
Molecular Weight284.19 g/mol
Exact Mass284.04
IUPAC Name3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Oc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)7-1-4-17-10(5-7)20-9-6-16-3-2-8(9)11(18)19/h1-6H,(H,18,19)
InChIKeyPKVNUCYVYCBEIN-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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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-4-carboxylic acid (CID 81443299) is 3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-4-carboxylic acid is O=C(O)c1ccncc1Oc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-4-carboxylic acid?
The InChIKey is PKVNUCYVYCBEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O3/c13-12(14,15)7-1-4-17-10(5-7)20-9-6-16-3-2-8(9)11(18)19/h1-6H,(H,18,19).
What are the key properties of 3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-4-carboxylic acid?
3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-4-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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81443299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).