1-(2-chlorophenyl)-3-pyridin-4-ylurea

C12H10ClN3O — CID 24819595

IUPAC1-(2-chlorophenyl)-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccccc1Cl
InChIInChI=1S/C12H10ClN3O/c13-10-3-1-2-4-11(10)16-12(17)15-9-5-7-14-8-6-9/h1-8H,(H2,14,15,16,17)
InChIKeyZMHSCFKSSIBPJZ-UHFFFAOYSA-N
MW247.69 g/mol
LogP3.38
Rot. Bonds2

About 1-(2-chlorophenyl)-3-pyridin-4-ylurea

1-(2-chlorophenyl)-3-pyridin-4-ylurea (PubChem CID 24819595) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-pyridin-4-ylurea
PubChem CID24819595
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name1-(2-chlorophenyl)-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccccc1Cl
InChIInChI=1S/C12H10ClN3O/c13-10-3-1-2-4-11(10)16-12(17)15-9-5-7-14-8-6-9/h1-8H,(H2,14,15,16,17)
InChIKeyZMHSCFKSSIBPJZ-UHFFFAOYSA-N
XLogP3.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Forchlorfenuron
CID 93379
3-Phenyl-1-(pyridin-3-yl)urea
CID 674807
N-(4-Chlorophenyl)-N'-(2-pyridinyl)urea
CID 769416
1-Phenyl-3-(4-pyridyl)urea
CID 4074688
1-(4-Chlorophenyl)-3-(3-pyridylmethyl)urea
CID 3676263
1-(2-Chlorophenyl)-3-(pyridin-2-yl)thiourea
CID 972361
1-(4-Chlorophenyl)-3-(pyridin-4-yl)urea
CID 677052
1-(3,4-Dichlorophenyl)-3-(3-pyridylmethyl)urea
CID 734408
N,N'-Di-4-pyridinylurea
CID 1082704
N-(4-Chlorophenyl)-N'-(3-pyridinyl)urea
CID 759079
1-(2-Chlorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4426513
1-(2-Chloropyridin-3-yl)-3-(4-fluorophenyl)urea
CID 727816

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-pyridin-4-ylurea?
The IUPAC name of 1-(2-chlorophenyl)-3-pyridin-4-ylurea (CID 24819595) is 1-(2-chlorophenyl)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-pyridin-4-ylurea?
The canonical SMILES for 1-(2-chlorophenyl)-3-pyridin-4-ylurea is O=C(Nc1ccncc1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-pyridin-4-ylurea?
The InChIKey is ZMHSCFKSSIBPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-10-3-1-2-4-11(10)16-12(17)15-9-5-7-14-8-6-9/h1-8H,(H2,14,15,16,17).
What are the key properties of 1-(2-chlorophenyl)-3-pyridin-4-ylurea?
1-(2-chlorophenyl)-3-pyridin-4-ylurea has a molecular weight of 247.69 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-pyridin-4-ylurea is sourced from PubChem (CID 24819595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).