1-(3,4-difluorophenyl)-3-pyridin-3-ylurea

C12H9F2N3O — CID 24535904

IUPAC1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H9F2N3O/c13-10-4-3-8(6-11(10)14)16-12(18)17-9-2-1-5-15-7-9/h1-7H,(H2,16,17,18)
InChIKeyFXUULOAAJPKXHN-UHFFFAOYSA-N
MW249.22 g/mol
LogP3.00
Rot. Bonds2

About 1-(3,4-difluorophenyl)-3-pyridin-3-ylurea

1-(3,4-difluorophenyl)-3-pyridin-3-ylurea (PubChem CID 24535904) has the molecular formula C12H9F2N3O and a molecular weight of 249.22 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
PubChem CID24535904
Molecular FormulaC12H9F2N3O
Molecular Weight249.22 g/mol
Exact Mass249.07
IUPAC Name1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H9F2N3O/c13-10-4-3-8(6-11(10)14)16-12(18)17-9-2-1-5-15-7-9/h1-7H,(H2,16,17,18)
InChIKeyFXUULOAAJPKXHN-UHFFFAOYSA-N
XLogP3.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-(4-methylsulfanylphenyl)-3-pyridin-3-ylurea
CID 15549386
1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea
CID 3994543
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea
CID 108865005
1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126026
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-pyridin-3-ylurea
CID 108873340
1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)urea
CID 171854849
1,3-bis[[4-(pyridin-3-ylcarbamoylamino)phenyl]methyl]urea
CID 135869753

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-pyridin-3-ylurea (CID 24535904) is 1-(3,4-difluorophenyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-pyridin-3-ylurea is O=C(Nc1cccnc1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-pyridin-3-ylurea?
The InChIKey is FXUULOAAJPKXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O/c13-10-4-3-8(6-11(10)14)16-12(18)17-9-2-1-5-15-7-9/h1-7H,(H2,16,17,18).
What are the key properties of 1-(3,4-difluorophenyl)-3-pyridin-3-ylurea?
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea has a molecular weight of 249.22 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 24535904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).