1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea

C13H9F4N3O — CID 141145746

IUPAC1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H9F4N3O/c14-9-5-4-8(13(15,16)17)7-10(9)19-12(21)20-11-3-1-2-6-18-11/h1-7H,(H2,18,19,20,21)
InChIKeyMOXCEZJLLQHLPI-UHFFFAOYSA-N
MW299.23 g/mol
LogP3.88
Rot. Bonds2

About 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea

1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea (PubChem CID 141145746) has the molecular formula C13H9F4N3O and a molecular weight of 299.23 g/mol. Its IUPAC name is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea
PubChem CID141145746
Molecular FormulaC13H9F4N3O
Molecular Weight299.23 g/mol
Exact Mass299.07
IUPAC Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H9F4N3O/c14-9-5-4-8(13(15,16)17)7-10(9)19-12(21)20-11-3-1-2-6-18-11/h1-7H,(H2,18,19,20,21)
InChIKeyMOXCEZJLLQHLPI-UHFFFAOYSA-N
XLogP3.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
CID 71260039
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-[[2-(pyridin-2-ylamino)-4-pyridinyl]methyl]indol-4-yl]urea
CID 58703461
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]urea
CID 141154356
1-[(1S)-2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylurea
CID 52521709
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[1-[[2-(pyrimidin-2-ylamino)-4-pyridinyl]methyl]indol-4-yl]urea
CID 11620604
1-(2-tert-butylphenyl)-3-pyridin-2-ylurea
CID 110491801
1-(4-chloro-2-methoxyphenyl)-3-pyridin-2-ylurea
CID 51062921
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[5-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]-2-pyridinyl]urea
CID 68720508
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678
1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918
1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000610
3-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 57445292

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea (CID 141145746) is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea is O=C(Nc1ccccn1)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea?
The InChIKey is MOXCEZJLLQHLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N3O/c14-9-5-4-8(13(15,16)17)7-10(9)19-12(21)20-11-3-1-2-6-18-11/h1-7H,(H2,18,19,20,21).
What are the key properties of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea?
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea has a molecular weight of 299.23 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 141145746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).