[2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl]carbamic acid

C8H9FN2O3 — CID 68850322

IUPAC[2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl]carbamic acid
SMILESO=C(O)NCC(O)c1ccc(F)cn1
InChIInChI=1S/C8H9FN2O3/c9-5-1-2-6(10-3-5)7(12)4-11-8(13)14/h1-3,7,11-12H,4H2,(H,13,14)
InChIKeyNGVVQLMNNOIXLZ-UHFFFAOYSA-N
MW200.17 g/mol
LogP0.52
Rot. Bonds3

About [2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl]carbamic acid

[2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl]carbamic acid (PubChem CID 68850322) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is [2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl]carbamic acid.

Molecular Properties

Compound Name[2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl]carbamic acid
PubChem CID68850322
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name[2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl]carbamic acid
SMILESO=C(O)NCC(O)c1ccc(F)cn1
InChIInChI=1S/C8H9FN2O3/c9-5-1-2-6(10-3-5)7(12)4-11-8(13)14/h1-3,7,11-12H,4H2,(H,13,14)
InChIKeyNGVVQLMNNOIXLZ-UHFFFAOYSA-N
XLogP0.52
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl]carbamic acid?
The IUPAC name of [2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl]carbamic acid (CID 68850322) is [2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl]carbamic acid.
What is the SMILES notation for [2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl]carbamic acid?
The canonical SMILES for [2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl]carbamic acid is O=C(O)NCC(O)c1ccc(F)cn1.
What is the InChIKey of [2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl]carbamic acid?
The InChIKey is NGVVQLMNNOIXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c9-5-1-2-6(10-3-5)7(12)4-11-8(13)14/h1-3,7,11-12H,4H2,(H,13,14).
What are the key properties of [2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl]carbamic acid?
[2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl]carbamic acid has a molecular weight of 200.17 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl]carbamic acid is sourced from PubChem (CID 68850322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).