1-(2-chlorophenyl)-3-(5-iodo-2-pyridinyl)urea

C12H9ClIN3O — CID 65098518

IUPAC1-(2-chlorophenyl)-3-(5-iodo-2-pyridinyl)urea
SMILESO=C(Nc1ccc(I)cn1)Nc1ccccc1Cl
InChIInChI=1S/C12H9ClIN3O/c13-9-3-1-2-4-10(9)16-12(18)17-11-6-5-8(14)7-15-11/h1-7H,(H2,15,16,17,18)
InChIKeyWXCLRRQRZZDOBK-UHFFFAOYSA-N
MW373.58 g/mol
LogP3.98
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(5-iodo-2-pyridinyl)urea

1-(2-chlorophenyl)-3-(5-iodo-2-pyridinyl)urea (PubChem CID 65098518) has the molecular formula C12H9ClIN3O and a molecular weight of 373.58 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(5-iodo-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(5-iodo-2-pyridinyl)urea
PubChem CID65098518
Molecular FormulaC12H9ClIN3O
Molecular Weight373.58 g/mol
Exact Mass372.95
IUPAC Name1-(2-chlorophenyl)-3-(5-iodo-2-pyridinyl)urea
SMILESO=C(Nc1ccc(I)cn1)Nc1ccccc1Cl
InChIInChI=1S/C12H9ClIN3O/c13-9-3-1-2-4-10(9)16-12(18)17-11-6-5-8(14)7-15-11/h1-7H,(H2,15,16,17,18)
InChIKeyWXCLRRQRZZDOBK-UHFFFAOYSA-N
XLogP3.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.58
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-3-(5-iodo-2-pyridinyl)urea
CID 65098951
2,6-dichloro-N-(5-iodo-2-pyridinyl)benzamide
CID 23440185
1-(2-chlorophenyl)-3-pyrazin-2-ylurea
CID 5078272
1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea
CID 61292988
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea
CID 901016
3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide
CID 107096909
1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea
CID 113036867
1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 12060189
3,5-dichloro-N-(5-iodo-2-pyridinyl)benzamide
CID 65098988
1-(5-iodo-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 1471569
N-(2-chlorophenyl)-2-iodobenzamide
CID 1105942

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(5-iodo-2-pyridinyl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(5-iodo-2-pyridinyl)urea (CID 65098518) is 1-(2-chlorophenyl)-3-(5-iodo-2-pyridinyl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(5-iodo-2-pyridinyl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(5-iodo-2-pyridinyl)urea is O=C(Nc1ccc(I)cn1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(5-iodo-2-pyridinyl)urea?
The InChIKey is WXCLRRQRZZDOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClIN3O/c13-9-3-1-2-4-10(9)16-12(18)17-11-6-5-8(14)7-15-11/h1-7H,(H2,15,16,17,18).
What are the key properties of 1-(2-chlorophenyl)-3-(5-iodo-2-pyridinyl)urea?
1-(2-chlorophenyl)-3-(5-iodo-2-pyridinyl)urea has a molecular weight of 373.58 g/mol, XLogP of 3.98, 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-(5-iodo-2-pyridinyl)urea is sourced from PubChem (CID 65098518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).