1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea

C12H9Cl2N3O — CID 51062925

IUPAC1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H9Cl2N3O/c13-9-4-1-5-10(11(9)14)17-12(18)16-8-3-2-6-15-7-8/h1-7H,(H2,16,17,18)
InChIKeyFTKMHPCPXXJVJM-UHFFFAOYSA-N
MW282.13 g/mol
LogP4.03
Rot. Bonds2

About 1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea

1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea (PubChem CID 51062925) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea
PubChem CID51062925
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H9Cl2N3O/c13-9-4-1-5-10(11(9)14)17-12(18)16-8-3-2-6-15-7-8/h1-7H,(H2,16,17,18)
InChIKeyFTKMHPCPXXJVJM-UHFFFAOYSA-N
XLogP4.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea
CID 3994543
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743150
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
N-(2,3-dichlorophenyl)-3-pyridin-3-ylpropanamide
CID 112519927
methyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate
CID 110706425
3-chloro-4-(pyridin-3-ylcarbamoylamino)benzenesulfonyl chloride;sulfuric acid
CID 45156234
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
N-(2,3-dichlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81443246
3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 5211022
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
1-(2,3-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991413

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea (CID 51062925) is 1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea is O=C(Nc1cccnc1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea?
The InChIKey is FTKMHPCPXXJVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-9-4-1-5-10(11(9)14)17-12(18)16-8-3-2-6-15-7-8/h1-7H,(H2,16,17,18).
What are the key properties of 1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea?
1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea has a molecular weight of 282.13 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 51062925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).