6-(1,1-difluoro-2-pyrazol-1-ylethyl)pyridin-3-ol

C10H9F2N3O — CID 138991109

IUPAC6-(1,1-difluoro-2-pyrazol-1-ylethyl)pyridin-3-ol
SMILESOc1ccc(C(F)(F)Cn2cccn2)nc1
InChIInChI=1S/C10H9F2N3O/c11-10(12,7-15-5-1-4-14-15)9-3-2-8(16)6-13-9/h1-6,16H,7H2
InChIKeyLHWFJPCRKFEHMK-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.78
Rot. Bonds3

About 6-(1,1-difluoro-2-pyrazol-1-ylethyl)pyridin-3-ol

6-(1,1-difluoro-2-pyrazol-1-ylethyl)pyridin-3-ol (PubChem CID 138991109) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 6-(1,1-difluoro-2-pyrazol-1-ylethyl)pyridin-3-ol.

Molecular Properties

Compound Name6-(1,1-difluoro-2-pyrazol-1-ylethyl)pyridin-3-ol
PubChem CID138991109
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name6-(1,1-difluoro-2-pyrazol-1-ylethyl)pyridin-3-ol
SMILESOc1ccc(C(F)(F)Cn2cccn2)nc1
InChIInChI=1S/C10H9F2N3O/c11-10(12,7-15-5-1-4-14-15)9-3-2-8(16)6-13-9/h1-6,16H,7H2
InChIKeyLHWFJPCRKFEHMK-UHFFFAOYSA-N
XLogP1.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoro-2-pyrazol-1-ylethyl)pyridin-3-ol?
The IUPAC name of 6-(1,1-difluoro-2-pyrazol-1-ylethyl)pyridin-3-ol (CID 138991109) is 6-(1,1-difluoro-2-pyrazol-1-ylethyl)pyridin-3-ol.
What is the SMILES notation for 6-(1,1-difluoro-2-pyrazol-1-ylethyl)pyridin-3-ol?
The canonical SMILES for 6-(1,1-difluoro-2-pyrazol-1-ylethyl)pyridin-3-ol is Oc1ccc(C(F)(F)Cn2cccn2)nc1.
What is the InChIKey of 6-(1,1-difluoro-2-pyrazol-1-ylethyl)pyridin-3-ol?
The InChIKey is LHWFJPCRKFEHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c11-10(12,7-15-5-1-4-14-15)9-3-2-8(16)6-13-9/h1-6,16H,7H2.
What are the key properties of 6-(1,1-difluoro-2-pyrazol-1-ylethyl)pyridin-3-ol?
6-(1,1-difluoro-2-pyrazol-1-ylethyl)pyridin-3-ol has a molecular weight of 225.20 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoro-2-pyrazol-1-ylethyl)pyridin-3-ol is sourced from PubChem (CID 138991109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).