[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid

C11H13FN2O4 — CID 175806150

IUPAC[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid
SMILESCC1(C)OC[C@@H](c2cc(NC(=O)O)c(F)cn2)O1
InChIInChI=1S/C11H13FN2O4/c1-11(2)17-5-9(18-11)8-3-7(14-10(15)16)6(12)4-13-8/h3-4,9H,5H2,1-2H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeySPTCMRFDGRZQGZ-VIFPVBQESA-N
MW256.23 g/mol
LogP2.13
Rot. Bonds2

About [2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid

[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid (PubChem CID 175806150) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is [2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid
PubChem CID175806150
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid
SMILESCC1(C)OC[C@@H](c2cc(NC(=O)O)c(F)cn2)O1
InChIInChI=1S/C11H13FN2O4/c1-11(2)17-5-9(18-11)8-3-7(14-10(15)16)6(12)4-13-8/h3-4,9H,5H2,1-2H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeySPTCMRFDGRZQGZ-VIFPVBQESA-N
XLogP2.13
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid?
The IUPAC name of [2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid (CID 175806150) is [2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid.
What is the SMILES notation for [2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid?
The canonical SMILES for [2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid is CC1(C)OC[C@@H](c2cc(NC(=O)O)c(F)cn2)O1.
What is the InChIKey of [2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid?
The InChIKey is SPTCMRFDGRZQGZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-11(2)17-5-9(18-11)8-3-7(14-10(15)16)6(12)4-13-8/h3-4,9H,5H2,1-2H3,(H,13,14)(H,15,16)/t9-/m0/s1.
What are the key properties of [2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid?
[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid has a molecular weight of 256.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid is sourced from PubChem (CID 175806150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).