1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea

C12H8BrF2N3O — CID 58862009

IUPAC1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C12H8BrF2N3O/c13-9-5-7(14)6-10(15)11(9)18-12(19)17-8-1-3-16-4-2-8/h1-6H,(H2,16,17,18,19)
InChIKeyZSVYLXBJBBVNCT-UHFFFAOYSA-N
MW328.12 g/mol
LogP3.77
Rot. Bonds2

About 1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea

1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea (PubChem CID 58862009) has the molecular formula C12H8BrF2N3O and a molecular weight of 328.12 g/mol. Its IUPAC name is 1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea
PubChem CID58862009
Molecular FormulaC12H8BrF2N3O
Molecular Weight328.12 g/mol
Exact Mass326.98
IUPAC Name1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C12H8BrF2N3O/c13-9-5-7(14)6-10(15)11(9)18-12(19)17-8-1-3-16-4-2-8/h1-6H,(H2,16,17,18,19)
InChIKeyZSVYLXBJBBVNCT-UHFFFAOYSA-N
XLogP3.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4,6-difluorophenyl)-3-(4-methoxyphenyl)urea
CID 2209375
1-(4-bromophenyl)-3-pyridin-4-ylurea
CID 677050
1,3-bis(2,4,6-trifluorophenyl)urea
CID 11716736
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide
CID 17068588
N-pyridin-4-yl-2-(2,4,6-trifluorophenyl)acetamide
CID 110487556
1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea
CID 47385463
2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
CID 24689645
1-(2-amino-4,6-difluorophenyl)-3-phenylurea
CID 81311026
N-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide
CID 43237002
1-(2-bromo-4,6-difluorophenyl)-3-butylurea
CID 113218580
2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide
CID 63109685

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea?
The IUPAC name of 1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea (CID 58862009) is 1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea?
The canonical SMILES for 1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea is O=C(Nc1ccncc1)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea?
The InChIKey is ZSVYLXBJBBVNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2N3O/c13-9-5-7(14)6-10(15)11(9)18-12(19)17-8-1-3-16-4-2-8/h1-6H,(H2,16,17,18,19).
What are the key properties of 1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea?
1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea has a molecular weight of 328.12 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea is sourced from PubChem (CID 58862009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).