2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

C14H13F2N3O3 — CID 90205481

IUPAC2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2OCC2CC(F)(F)C2)c1
InChIInChI=1S/C14H13F2N3O3/c15-14(16)6-9(7-14)8-22-12-2-4-18-19(12)11-5-10(13(20)21)1-3-17-11/h1-5,9H,6-8H2,(H,20,21)
InChIKeyRPTWQPJAAAJOAS-UHFFFAOYSA-N
MW309.27 g/mol
LogP2.39
Rot. Bonds5

About 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90205481) has the molecular formula C14H13F2N3O3 and a molecular weight of 309.27 g/mol. Its IUPAC name is 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID90205481
Molecular FormulaC14H13F2N3O3
Molecular Weight309.27 g/mol
Exact Mass309.09
IUPAC Name2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2OCC2CC(F)(F)C2)c1
InChIInChI=1S/C14H13F2N3O3/c15-14(16)6-9(7-14)8-22-12-2-4-18-19(12)11-5-10(13(20)21)1-3-17-11/h1-5,9H,6-8H2,(H,20,21)
InChIKeyRPTWQPJAAAJOAS-UHFFFAOYSA-N
XLogP2.39
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90205481) is 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-n2nccc2OCC2CC(F)(F)C2)c1.
What is the InChIKey of 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is RPTWQPJAAAJOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O3/c15-14(16)6-9(7-14)8-22-12-2-4-18-19(12)11-5-10(13(20)21)1-3-17-11/h1-5,9H,6-8H2,(H,20,21).
What are the key properties of 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 309.27 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90205481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).