[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]urea

C14H12F3N3O2 — CID 149159039

IUPAC[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]urea
SMILESCc1nc(NC(N)=O)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H12F3N3O2/c1-8-11(6-7-12(19-8)20-13(18)21)9-2-4-10(5-3-9)22-14(15,16)17/h2-7H,1H3,(H3,18,19,20,21)
InChIKeyDGEDWZCEXDZQSZ-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.45
Rot. Bonds3

About [6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]urea

[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]urea (PubChem CID 149159039) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is [6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]urea.

Molecular Properties

Compound Name[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]urea
PubChem CID149159039
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC Name[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]urea
SMILESCc1nc(NC(N)=O)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H12F3N3O2/c1-8-11(6-7-12(19-8)20-13(18)21)9-2-4-10(5-3-9)22-14(15,16)17/h2-7H,1H3,(H3,18,19,20,21)
InChIKeyDGEDWZCEXDZQSZ-UHFFFAOYSA-N
XLogP3.45
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide
CID 54087220
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 134635686
6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 133089210
5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228264
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 121230751
3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912465
methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634051
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid
CID 134631328
1-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71228197
ethyl 3-[5-acetamido-2-[4-(trifluoromethoxy)phenyl]phenyl]propanoate
CID 70806282

Frequently Asked Questions

What is the IUPAC name of [6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]urea?
The IUPAC name of [6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]urea (CID 149159039) is [6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]urea.
What is the SMILES notation for [6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]urea?
The canonical SMILES for [6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]urea is Cc1nc(NC(N)=O)ccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]urea?
The InChIKey is DGEDWZCEXDZQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c1-8-11(6-7-12(19-8)20-13(18)21)9-2-4-10(5-3-9)22-14(15,16)17/h2-7H,1H3,(H3,18,19,20,21).
What are the key properties of [6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]urea?
[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]urea has a molecular weight of 311.26 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]urea is sourced from PubChem (CID 149159039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).