1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea

C13H11Cl2N3O — CID 108886244

IUPAC1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C13H11Cl2N3O/c1-8-2-4-10(7-16-8)17-13(19)18-12-6-9(14)3-5-11(12)15/h2-7H,1H3,(H2,17,18,19)
InChIKeyNKWOWMFVMCCZTP-UHFFFAOYSA-N
MW296.16 g/mol
LogP4.34
Rot. Bonds2

About 1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea

1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea (PubChem CID 108886244) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea
PubChem CID108886244
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C13H11Cl2N3O/c1-8-2-4-10(7-16-8)17-13(19)18-12-6-9(14)3-5-11(12)15/h2-7H,1H3,(H2,17,18,19)
InChIKeyNKWOWMFVMCCZTP-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

1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108886172
1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane
CID 167695271
methyl 4-[[4-chloro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate
CID 66546214
1-(4-amino-3-chlorophenyl)-3-(2,5-dichlorophenyl)urea
CID 82861443
1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108992164
1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 108886097
2-chloro-5-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 106502027
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
1-(3-hydroxyphenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108895931
3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743784

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea (CID 108886244) is 1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea is Cc1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cn1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea?
The InChIKey is NKWOWMFVMCCZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-8-2-4-10(7-16-8)17-13(19)18-12-6-9(14)3-5-11(12)15/h2-7H,1H3,(H2,17,18,19).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea?
1-(2,5-dichlorophenyl)-3-(6-methyl-3-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-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea is sourced from PubChem (CID 108886244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).