[5-(difluoromethyl)-6-(1,3-dioxolan-2-yl)-2-pyridinyl]-methylcarbamic acid

C11H12F2N2O4 — CID 122573630

IUPAC[5-(difluoromethyl)-6-(1,3-dioxolan-2-yl)-2-pyridinyl]-methylcarbamic acid
SMILESCN(C(=O)O)c1ccc(C(F)F)c(C2OCCO2)n1
InChIInChI=1S/C11H12F2N2O4/c1-15(11(16)17)7-3-2-6(9(12)13)8(14-7)10-18-4-5-19-10/h2-3,9-10H,4-5H2,1H3,(H,16,17)
InChIKeyCGIZSHOPZXJANM-UHFFFAOYSA-N
MW274.22 g/mol
LogP2.18
Rot. Bonds3

About [5-(difluoromethyl)-6-(1,3-dioxolan-2-yl)-2-pyridinyl]-methylcarbamic acid

[5-(difluoromethyl)-6-(1,3-dioxolan-2-yl)-2-pyridinyl]-methylcarbamic acid (PubChem CID 122573630) has the molecular formula C11H12F2N2O4 and a molecular weight of 274.22 g/mol. Its IUPAC name is [5-(difluoromethyl)-6-(1,3-dioxolan-2-yl)-2-pyridinyl]-methylcarbamic acid.

Molecular Properties

Compound Name[5-(difluoromethyl)-6-(1,3-dioxolan-2-yl)-2-pyridinyl]-methylcarbamic acid
PubChem CID122573630
Molecular FormulaC11H12F2N2O4
Molecular Weight274.22 g/mol
Exact Mass274.08
IUPAC Name[5-(difluoromethyl)-6-(1,3-dioxolan-2-yl)-2-pyridinyl]-methylcarbamic acid
SMILESCN(C(=O)O)c1ccc(C(F)F)c(C2OCCO2)n1
InChIInChI=1S/C11H12F2N2O4/c1-15(11(16)17)7-3-2-6(9(12)13)8(14-7)10-18-4-5-19-10/h2-3,9-10H,4-5H2,1H3,(H,16,17)
InChIKeyCGIZSHOPZXJANM-UHFFFAOYSA-N
XLogP2.18
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-6-(1,3-dioxolan-2-yl)-2-pyridinyl]-methylcarbamic acid?
The IUPAC name of [5-(difluoromethyl)-6-(1,3-dioxolan-2-yl)-2-pyridinyl]-methylcarbamic acid (CID 122573630) is [5-(difluoromethyl)-6-(1,3-dioxolan-2-yl)-2-pyridinyl]-methylcarbamic acid.
What is the SMILES notation for [5-(difluoromethyl)-6-(1,3-dioxolan-2-yl)-2-pyridinyl]-methylcarbamic acid?
The canonical SMILES for [5-(difluoromethyl)-6-(1,3-dioxolan-2-yl)-2-pyridinyl]-methylcarbamic acid is CN(C(=O)O)c1ccc(C(F)F)c(C2OCCO2)n1.
What is the InChIKey of [5-(difluoromethyl)-6-(1,3-dioxolan-2-yl)-2-pyridinyl]-methylcarbamic acid?
The InChIKey is CGIZSHOPZXJANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O4/c1-15(11(16)17)7-3-2-6(9(12)13)8(14-7)10-18-4-5-19-10/h2-3,9-10H,4-5H2,1H3,(H,16,17).
What are the key properties of [5-(difluoromethyl)-6-(1,3-dioxolan-2-yl)-2-pyridinyl]-methylcarbamic acid?
[5-(difluoromethyl)-6-(1,3-dioxolan-2-yl)-2-pyridinyl]-methylcarbamic acid has a molecular weight of 274.22 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-6-(1,3-dioxolan-2-yl)-2-pyridinyl]-methylcarbamic acid is sourced from PubChem (CID 122573630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).