2-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid

C14H9F3N4O2 — CID 135308368

IUPAC2-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3cnn(CC(F)(F)F)c3cn2)c1
InChIInChI=1S/C14H9F3N4O2/c15-14(16,17)7-21-12-6-19-11(4-9(12)5-20-21)10-3-8(13(22)23)1-2-18-10/h1-6H,7H2,(H,22,23)
InChIKeyJMLQKFGDCWOXEY-UHFFFAOYSA-N
MW322.25 g/mol
LogP2.75
Rot. Bonds3

About 2-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid

2-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid (PubChem CID 135308368) has the molecular formula C14H9F3N4O2 and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
PubChem CID135308368
Molecular FormulaC14H9F3N4O2
Molecular Weight322.25 g/mol
Exact Mass322.07
IUPAC Name2-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3cnn(CC(F)(F)F)c3cn2)c1
InChIInChI=1S/C14H9F3N4O2/c15-14(16,17)7-21-12-6-19-11(4-9(12)5-20-21)10-3-8(13(22)23)1-2-18-10/h1-6H,7H2,(H,22,23)
InChIKeyJMLQKFGDCWOXEY-UHFFFAOYSA-N
XLogP2.75
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid (CID 135308368) is 2-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc3cnn(CC(F)(F)F)c3cn2)c1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
The InChIKey is JMLQKFGDCWOXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O2/c15-14(16,17)7-21-12-6-19-11(4-9(12)5-20-21)10-3-8(13(22)23)1-2-18-10/h1-6H,7H2,(H,22,23).
What are the key properties of 2-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
2-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid has a molecular weight of 322.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 135308368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).