1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylurea

C14H14FN3O2 — CID 47172081

IUPAC1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylurea
SMILESO=C(NCC(O)c1ccccc1F)Nc1cccnc1
InChIInChI=1S/C14H14FN3O2/c15-12-6-2-1-5-11(12)13(19)9-17-14(20)18-10-4-3-7-16-8-10/h1-8,13,19H,9H2,(H2,17,18,20)
InChIKeyWXTODZZXSWXJKG-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.08
Rot. Bonds4

About 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylurea

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylurea (PubChem CID 47172081) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylurea
PubChem CID47172081
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylurea
SMILESO=C(NCC(O)c1ccccc1F)Nc1cccnc1
InChIInChI=1S/C14H14FN3O2/c15-12-6-2-1-5-11(12)13(19)9-17-14(20)18-10-4-3-7-16-8-10/h1-8,13,19H,9H2,(H2,17,18,20)
InChIKeyWXTODZZXSWXJKG-UHFFFAOYSA-N
XLogP2.08
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylurea (CID 47172081) is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylurea is O=C(NCC(O)c1ccccc1F)Nc1cccnc1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylurea?
The InChIKey is WXTODZZXSWXJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-12-6-2-1-5-11(12)13(19)9-17-14(20)18-10-4-3-7-16-8-10/h1-8,13,19H,9H2,(H2,17,18,20).
What are the key properties of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylurea?
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylurea has a molecular weight of 275.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 47172081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).