[2-(trifluoromethyl)-4-pyridinyl]carbamic acid

C7H5F3N2O2 — CID 68715286

IUPAC[2-(trifluoromethyl)-4-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(1-2-11-5)12-6(13)14/h1-3H,(H,11,12)(H,13,14)
InChIKeyHBUMINGZRQXWQY-UHFFFAOYSA-N
MW206.12 g/mol
LogP2.19
Rot. Bonds1

About [2-(trifluoromethyl)-4-pyridinyl]carbamic acid

[2-(trifluoromethyl)-4-pyridinyl]carbamic acid (PubChem CID 68715286) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is [2-(trifluoromethyl)-4-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[2-(trifluoromethyl)-4-pyridinyl]carbamic acid
PubChem CID68715286
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name[2-(trifluoromethyl)-4-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(1-2-11-5)12-6(13)14/h1-3H,(H,11,12)(H,13,14)
InChIKeyHBUMINGZRQXWQY-UHFFFAOYSA-N
XLogP2.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-4-pyridinyl]carbamic acid?
The IUPAC name of [2-(trifluoromethyl)-4-pyridinyl]carbamic acid (CID 68715286) is [2-(trifluoromethyl)-4-pyridinyl]carbamic acid.
What is the SMILES notation for [2-(trifluoromethyl)-4-pyridinyl]carbamic acid?
The canonical SMILES for [2-(trifluoromethyl)-4-pyridinyl]carbamic acid is O=C(O)Nc1ccnc(C(F)(F)F)c1.
What is the InChIKey of [2-(trifluoromethyl)-4-pyridinyl]carbamic acid?
The InChIKey is HBUMINGZRQXWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(1-2-11-5)12-6(13)14/h1-3H,(H,11,12)(H,13,14).
What are the key properties of [2-(trifluoromethyl)-4-pyridinyl]carbamic acid?
[2-(trifluoromethyl)-4-pyridinyl]carbamic acid has a molecular weight of 206.12 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-4-pyridinyl]carbamic acid is sourced from PubChem (CID 68715286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).