1-(3,4-dichlorophenyl)-3-(5-methyl-2-pyridinyl)urea

C13H11Cl2N3O — CID 836671

IUPAC1-(3,4-dichlorophenyl)-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C13H11Cl2N3O/c1-8-2-5-12(16-7-8)18-13(19)17-9-3-4-10(14)11(15)6-9/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyFZGWCUSFTXSEGL-UHFFFAOYSA-N
MW296.16 g/mol
LogP4.34
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(5-methyl-2-pyridinyl)urea

1-(3,4-dichlorophenyl)-3-(5-methyl-2-pyridinyl)urea (PubChem CID 836671) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(5-methyl-2-pyridinyl)urea
PubChem CID836671
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name1-(3,4-dichlorophenyl)-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C13H11Cl2N3O/c1-8-2-5-12(16-7-8)18-13(19)17-9-3-4-10(14)11(15)6-9/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyFZGWCUSFTXSEGL-UHFFFAOYSA-N
XLogP4.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-methyl-2-pyridinyl)urea (CID 836671) is 1-(3,4-dichlorophenyl)-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is FZGWCUSFTXSEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-8-2-5-12(16-7-8)18-13(19)17-9-3-4-10(14)11(15)6-9/h2-7H,1H3,(H2,16,17,18,19).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(5-methyl-2-pyridinyl)urea?
1-(3,4-dichlorophenyl)-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 296.16 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 836671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).