1-[3-(difluoromethoxy)-2-pyridinyl]cyclopropane-1-carboxylic acid

C10H9F2NO3 — CID 171833069

IUPAC1-[3-(difluoromethoxy)-2-pyridinyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ncccc2OC(F)F)CC1
InChIInChI=1S/C10H9F2NO3/c11-9(12)16-6-2-1-5-13-7(6)10(3-4-10)8(14)15/h1-2,5,9H,3-4H2,(H,14,15)
InChIKeyYSWRQNIOYJBITR-UHFFFAOYSA-N
MW229.18 g/mol
LogP1.80
Rot. Bonds4

About 1-[3-(difluoromethoxy)-2-pyridinyl]cyclopropane-1-carboxylic acid

1-[3-(difluoromethoxy)-2-pyridinyl]cyclopropane-1-carboxylic acid (PubChem CID 171833069) has the molecular formula C10H9F2NO3 and a molecular weight of 229.18 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-2-pyridinyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-2-pyridinyl]cyclopropane-1-carboxylic acid
PubChem CID171833069
Molecular FormulaC10H9F2NO3
Molecular Weight229.18 g/mol
Exact Mass229.06
IUPAC Name1-[3-(difluoromethoxy)-2-pyridinyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ncccc2OC(F)F)CC1
InChIInChI=1S/C10H9F2NO3/c11-9(12)16-6-2-1-5-13-7(6)10(3-4-10)8(14)15/h1-2,5,9H,3-4H2,(H,14,15)
InChIKeyYSWRQNIOYJBITR-UHFFFAOYSA-N
XLogP1.80
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-2-pyridinyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-(difluoromethoxy)-2-pyridinyl]cyclopropane-1-carboxylic acid (CID 171833069) is 1-[3-(difluoromethoxy)-2-pyridinyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(difluoromethoxy)-2-pyridinyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-(difluoromethoxy)-2-pyridinyl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2ncccc2OC(F)F)CC1.
What is the InChIKey of 1-[3-(difluoromethoxy)-2-pyridinyl]cyclopropane-1-carboxylic acid?
The InChIKey is YSWRQNIOYJBITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO3/c11-9(12)16-6-2-1-5-13-7(6)10(3-4-10)8(14)15/h1-2,5,9H,3-4H2,(H,14,15).
What are the key properties of 1-[3-(difluoromethoxy)-2-pyridinyl]cyclopropane-1-carboxylic acid?
1-[3-(difluoromethoxy)-2-pyridinyl]cyclopropane-1-carboxylic acid has a molecular weight of 229.18 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-2-pyridinyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 171833069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).