phenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid

C13H9F3N2O2 — CID 118571309

IUPACphenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid
SMILESO=C(O)N(c1ccccc1)c1cccnc1C(F)(F)F
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)11-10(7-4-8-17-11)18(12(19)20)9-5-2-1-3-6-9/h1-8H,(H,19,20)
InChIKeyUZWKGLLJIVZJRL-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.92
Rot. Bonds2

About phenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid

phenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid (PubChem CID 118571309) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is phenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Namephenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid
PubChem CID118571309
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Namephenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid
SMILESO=C(O)N(c1ccccc1)c1cccnc1C(F)(F)F
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)11-10(7-4-8-17-11)18(12(19)20)9-5-2-1-3-6-9/h1-8H,(H,19,20)
InChIKeyUZWKGLLJIVZJRL-UHFFFAOYSA-N
XLogP3.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid?
The IUPAC name of phenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid (CID 118571309) is phenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid.
What is the SMILES notation for phenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid?
The canonical SMILES for phenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid is O=C(O)N(c1ccccc1)c1cccnc1C(F)(F)F.
What is the InChIKey of phenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid?
The InChIKey is UZWKGLLJIVZJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)11-10(7-4-8-17-11)18(12(19)20)9-5-2-1-3-6-9/h1-8H,(H,19,20).
What are the key properties of phenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid?
phenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid has a molecular weight of 282.22 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid is sourced from PubChem (CID 118571309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).