1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea

C14H9F6N3O — CID 108865005

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H9F6N3O/c15-13(16,17)8-4-9(14(18,19)20)6-11(5-8)23-12(24)22-10-2-1-3-21-7-10/h1-7H,(H2,22,23,24)
InChIKeyVRWKJLKTRYSSJY-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.76
Rot. Bonds2

About 1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea

1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea (PubChem CID 108865005) has the molecular formula C14H9F6N3O and a molecular weight of 349.23 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea
PubChem CID108865005
Molecular FormulaC14H9F6N3O
Molecular Weight349.23 g/mol
Exact Mass349.06
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H9F6N3O/c15-13(16,17)8-4-9(14(18,19)20)6-11(5-8)23-12(24)22-10-2-1-3-21-7-10/h1-7H,(H2,22,23,24)
InChIKeyVRWKJLKTRYSSJY-UHFFFAOYSA-N
XLogP4.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide
CID 86807604
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
1-(3-amino-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 63063127
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-(4-aminophenyl)-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 108897036
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 130386733
1-[[3-fluoro-4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]methyl]-3-pyridin-3-ylurea
CID 89310504
1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea
CID 108811972
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea
CID 139246694

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea (CID 108865005) is 1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea is O=C(Nc1cccnc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea?
The InChIKey is VRWKJLKTRYSSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N3O/c15-13(16,17)8-4-9(14(18,19)20)6-11(5-8)23-12(24)22-10-2-1-3-21-7-10/h1-7H,(H2,22,23,24).
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea?
1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea has a molecular weight of 349.23 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 108865005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).