1-(3-chloro-4-fluorophenyl)-3-pyrazin-2-ylurea

C11H8ClFN4O — CID 6470250

IUPAC1-(3-chloro-4-fluorophenyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1cnccn1
InChIInChI=1S/C11H8ClFN4O/c12-8-5-7(1-2-9(8)13)16-11(18)17-10-6-14-3-4-15-10/h1-6H,(H2,15,16,17,18)
InChIKeyFSGKTMSFRDAVPK-UHFFFAOYSA-N
MW266.66 g/mol
LogP2.91
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-3-pyrazin-2-ylurea

1-(3-chloro-4-fluorophenyl)-3-pyrazin-2-ylurea (PubChem CID 6470250) has the molecular formula C11H8ClFN4O and a molecular weight of 266.66 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-pyrazin-2-ylurea
PubChem CID6470250
Molecular FormulaC11H8ClFN4O
Molecular Weight266.66 g/mol
Exact Mass266.04
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1cnccn1
InChIInChI=1S/C11H8ClFN4O/c12-8-5-7(1-2-9(8)13)16-11(18)17-10-6-14-3-4-15-10/h1-6H,(H2,15,16,17,18)
InChIKeyFSGKTMSFRDAVPK-UHFFFAOYSA-N
XLogP2.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-pyrazin-2-ylurea (CID 6470250) is 1-(3-chloro-4-fluorophenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-pyrazin-2-ylurea is O=C(Nc1ccc(F)c(Cl)c1)Nc1cnccn1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-pyrazin-2-ylurea?
The InChIKey is FSGKTMSFRDAVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN4O/c12-8-5-7(1-2-9(8)13)16-11(18)17-10-6-14-3-4-15-10/h1-6H,(H2,15,16,17,18).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-pyrazin-2-ylurea?
1-(3-chloro-4-fluorophenyl)-3-pyrazin-2-ylurea has a molecular weight of 266.66 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 6470250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).