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

Name: Phenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₉F₃N₂O₂ — CID 118571309

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Phenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid
PubChem CID	118571309
Molecular Formula	C₁₃H₉F₃N₂O₂
Molecular Weight	282.22 g/mol
Exact Mass	282.06
IUPAC Name	phenyl-[2-(trifluoromethyl)-3-pyridinyl]carbamic acid
SMILES	O=C(O)N(c1ccccc1)c1cccnc1C(F)(F)F
InChI	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)
InChIKey	UZWKGLLJIVZJRL-UHFFFAOYSA-N
XLogP	3.92
TPSA	53.43 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	2
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.22
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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).

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Sources

PubChem CID 118571309 — identifiers, structure, computed properties (public domain)

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