1,3-bis(5-chloro-2-pyridinyl)urea

C11H8Cl2N4O — CID 1077773

IUPAC1,3-bis(5-chloro-2-pyridinyl)urea
SMILESO=C(Nc1ccc(Cl)cn1)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H8Cl2N4O/c12-7-1-3-9(14-5-7)16-11(18)17-10-4-2-8(13)6-15-10/h1-6H,(H2,14,15,16,17,18)
InChIKeyLJMDAVBLOACJGD-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.43
Rot. Bonds2

About 1,3-bis(5-chloro-2-pyridinyl)urea

1,3-bis(5-chloro-2-pyridinyl)urea (PubChem CID 1077773) has the molecular formula C11H8Cl2N4O and a molecular weight of 283.12 g/mol. Its IUPAC name is 1,3-bis(5-chloro-2-pyridinyl)urea.

Molecular Properties

Compound Name1,3-bis(5-chloro-2-pyridinyl)urea
PubChem CID1077773
Molecular FormulaC11H8Cl2N4O
Molecular Weight283.12 g/mol
Exact Mass282.01
IUPAC Name1,3-bis(5-chloro-2-pyridinyl)urea
SMILESO=C(Nc1ccc(Cl)cn1)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H8Cl2N4O/c12-7-1-3-9(14-5-7)16-11(18)17-10-4-2-8(13)6-15-10/h1-6H,(H2,14,15,16,17,18)
InChIKeyLJMDAVBLOACJGD-UHFFFAOYSA-N
XLogP3.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(5-chloro-2-pyridinyl)urea?
The IUPAC name of 1,3-bis(5-chloro-2-pyridinyl)urea (CID 1077773) is 1,3-bis(5-chloro-2-pyridinyl)urea.
What is the SMILES notation for 1,3-bis(5-chloro-2-pyridinyl)urea?
The canonical SMILES for 1,3-bis(5-chloro-2-pyridinyl)urea is O=C(Nc1ccc(Cl)cn1)Nc1ccc(Cl)cn1.
What is the InChIKey of 1,3-bis(5-chloro-2-pyridinyl)urea?
The InChIKey is LJMDAVBLOACJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O/c12-7-1-3-9(14-5-7)16-11(18)17-10-4-2-8(13)6-15-10/h1-6H,(H2,14,15,16,17,18).
What are the key properties of 1,3-bis(5-chloro-2-pyridinyl)urea?
1,3-bis(5-chloro-2-pyridinyl)urea has a molecular weight of 283.12 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(5-chloro-2-pyridinyl)urea is sourced from PubChem (CID 1077773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).