2-[3-[6-(difluoromethoxy)-3-pyridinyl]pyrazol-1-yl]acetic acid

C11H9F2N3O3 — CID 167955338

IUPAC2-[3-[6-(difluoromethoxy)-3-pyridinyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(-c2ccc(OC(F)F)nc2)n1
InChIInChI=1S/C11H9F2N3O3/c12-11(13)19-9-2-1-7(5-14-9)8-3-4-16(15-8)6-10(17)18/h1-5,11H,6H2,(H,17,18)
InChIKeyZHVVTLALVWKVMI-UHFFFAOYSA-N
MW269.21 g/mol
LogP1.63
Rot. Bonds5

About 2-[3-[6-(difluoromethoxy)-3-pyridinyl]pyrazol-1-yl]acetic acid

2-[3-[6-(difluoromethoxy)-3-pyridinyl]pyrazol-1-yl]acetic acid (PubChem CID 167955338) has the molecular formula C11H9F2N3O3 and a molecular weight of 269.21 g/mol. Its IUPAC name is 2-[3-[6-(difluoromethoxy)-3-pyridinyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[6-(difluoromethoxy)-3-pyridinyl]pyrazol-1-yl]acetic acid
PubChem CID167955338
Molecular FormulaC11H9F2N3O3
Molecular Weight269.21 g/mol
Exact Mass269.06
IUPAC Name2-[3-[6-(difluoromethoxy)-3-pyridinyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(-c2ccc(OC(F)F)nc2)n1
InChIInChI=1S/C11H9F2N3O3/c12-11(13)19-9-2-1-7(5-14-9)8-3-4-16(15-8)6-10(17)18/h1-5,11H,6H2,(H,17,18)
InChIKeyZHVVTLALVWKVMI-UHFFFAOYSA-N
XLogP1.63
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]pyrazol-1-yl]acetic acid (CID 167955338) is 2-[3-[6-(difluoromethoxy)-3-pyridinyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[6-(difluoromethoxy)-3-pyridinyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[6-(difluoromethoxy)-3-pyridinyl]pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(-c2ccc(OC(F)F)nc2)n1.
What is the InChIKey of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]pyrazol-1-yl]acetic acid?
The InChIKey is ZHVVTLALVWKVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O3/c12-11(13)19-9-2-1-7(5-14-9)8-3-4-16(15-8)6-10(17)18/h1-5,11H,6H2,(H,17,18).
What are the key properties of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]pyrazol-1-yl]acetic acid?
2-[3-[6-(difluoromethoxy)-3-pyridinyl]pyrazol-1-yl]acetic acid has a molecular weight of 269.21 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(difluoromethoxy)-3-pyridinyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 167955338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).