[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]carbamic acid

C13H9F3N2O2 — CID 90984444

IUPAC[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)9-3-1-8(2-4-9)11-6-5-10(7-17-11)18-12(19)20/h1-7,18H,(H,19,20)
InChIKeyQVGQLRHKEKGOBV-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.86
Rot. Bonds2

About [6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]carbamic acid

[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]carbamic acid (PubChem CID 90984444) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is [6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]carbamic acid
PubChem CID90984444
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)9-3-1-8(2-4-9)11-6-5-10(7-17-11)18-12(19)20/h1-7,18H,(H,19,20)
InChIKeyQVGQLRHKEKGOBV-UHFFFAOYSA-N
XLogP3.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]carbamic acid?
The IUPAC name of [6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]carbamic acid (CID 90984444) is [6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]carbamic acid.
What is the SMILES notation for [6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]carbamic acid?
The canonical SMILES for [6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]carbamic acid is O=C(O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of [6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]carbamic acid?
The InChIKey is QVGQLRHKEKGOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)9-3-1-8(2-4-9)11-6-5-10(7-17-11)18-12(19)20/h1-7,18H,(H,19,20).
What are the key properties of [6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]carbamic acid?
[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]carbamic acid has a molecular weight of 282.22 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]carbamic acid is sourced from PubChem (CID 90984444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).