1-(3,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)urea

C13H11Cl2N3O — CID 684089

IUPAC1-(3,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H11Cl2N3O/c1-8-3-2-4-12(16-8)18-13(19)17-9-5-6-10(14)11(15)7-9/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyLAKSASARLXGJSN-UHFFFAOYSA-N
MW296.16 g/mol
LogP4.34
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)urea

1-(3,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)urea (PubChem CID 684089) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)urea
PubChem CID684089
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name1-(3,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H11Cl2N3O/c1-8-3-2-4-12(16-8)18-13(19)17-9-5-6-10(14)11(15)7-9/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyLAKSASARLXGJSN-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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Related Compounds

N-(4-Chlorophenyl)-N'-(2-pyridinyl)urea
CID 769416
1-(3,4-Dichlorophenyl)-3-(2-pyridyl)urea
CID 786649
N-(6-Methyl-2-pyridinyl)-N'-phenylurea
CID 306458
1-(4-Fluorophenyl)-3-(6-methylpyridin-2-yl)urea
CID 310683
1-(4-Chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea
CID 2306588
Urea, 1-(p-chlorophenyl)-3-(4,6-dimethyl-2-pyrimidinyl)-
CID 204267
1-(3,4-Dichloro-phenyl)-3-(5-methyl-pyridin-2-yl)-urea
CID 836671
1-(4-Chlorophenyl)-3-(6-methylpyridin-2-yl)urea
CID 836687
N-(3-Chlorophenyl)-N'-(2-pyridinyl)urea
CID 564990
N-(3-fluorophenyl)-N'-(6-methyl-2-pyridinyl)urea
CID 808384
2,4-Pyrimidinediamine, 6-chloro-N4-(3,4-dichlorophenyl)-
CID 238747
N-(3-chlorophenyl)-N'-(5-chloro-2-pyridinyl)urea
CID 878385

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)urea (CID 684089) is 1-(3,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is LAKSASARLXGJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-8-3-2-4-12(16-8)18-13(19)17-9-5-6-10(14)11(15)7-9/h2-7H,1H3,(H2,16,17,18,19).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)urea?
1-(3,4-dichlorophenyl)-3-(6-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-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 684089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).