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

C12H9FIN3O — CID 65098951

IUPAC1-(2-fluorophenyl)-3-(5-iodo-2-pyridinyl)urea
SMILESO=C(Nc1ccc(I)cn1)Nc1ccccc1F
InChIInChI=1S/C12H9FIN3O/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)
InChIKeyHZPXBNDSVRLVNG-UHFFFAOYSA-N
MW357.13 g/mol
LogP3.47
Rot. Bonds2

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

1-(2-fluorophenyl)-3-(5-iodo-2-pyridinyl)urea (PubChem CID 65098951) has the molecular formula C12H9FIN3O and a molecular weight of 357.13 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(5-iodo-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(5-iodo-2-pyridinyl)urea
PubChem CID65098951
Molecular FormulaC12H9FIN3O
Molecular Weight357.13 g/mol
Exact Mass356.98
IUPAC Name1-(2-fluorophenyl)-3-(5-iodo-2-pyridinyl)urea
SMILESO=C(Nc1ccc(I)cn1)Nc1ccccc1F
InChIInChI=1S/C12H9FIN3O/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)
InChIKeyHZPXBNDSVRLVNG-UHFFFAOYSA-N
XLogP3.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.13
LogP ≤ 53.47
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-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea
CID 901016
1-(2-chlorophenyl)-3-(5-iodo-2-pyridinyl)urea
CID 65098518
1-(2-fluorophenyl)-3-quinolin-2-ylurea
CID 2812960
1-(5-iodo-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 1471569
6-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63643427
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea
CID 17380662
1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea
CID 110492640
N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 2534109
N-(2-fluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158516
5-chloro-N-(2-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921898
1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430028
1-[2-(2-aminoethoxy)phenyl]-3-(2-fluorophenyl)urea
CID 43175667

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(5-iodo-2-pyridinyl)urea?
The IUPAC name of 1-(2-fluorophenyl)-3-(5-iodo-2-pyridinyl)urea (CID 65098951) is 1-(2-fluorophenyl)-3-(5-iodo-2-pyridinyl)urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(5-iodo-2-pyridinyl)urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(5-iodo-2-pyridinyl)urea is O=C(Nc1ccc(I)cn1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(5-iodo-2-pyridinyl)urea?
The InChIKey is HZPXBNDSVRLVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FIN3O/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-fluorophenyl)-3-(5-iodo-2-pyridinyl)urea?
1-(2-fluorophenyl)-3-(5-iodo-2-pyridinyl)urea has a molecular weight of 357.13 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(5-iodo-2-pyridinyl)urea is sourced from PubChem (CID 65098951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).