[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]carbamic acid

C9H10F3N3O2 — CID 123894563

IUPAC[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]carbamic acid
SMILESCN(C)c1ncc(NC(=O)O)cc1C(F)(F)F
InChIInChI=1S/C9H10F3N3O2/c1-15(2)7-6(9(10,11)12)3-5(4-13-7)14-8(16)17/h3-4,14H,1-2H3,(H,16,17)
InChIKeyQXVGQGYIGBSCFU-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.26
Rot. Bonds2

About [6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]carbamic acid

[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]carbamic acid (PubChem CID 123894563) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is [6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]carbamic acid
PubChem CID123894563
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]carbamic acid
SMILESCN(C)c1ncc(NC(=O)O)cc1C(F)(F)F
InChIInChI=1S/C9H10F3N3O2/c1-15(2)7-6(9(10,11)12)3-5(4-13-7)14-8(16)17/h3-4,14H,1-2H3,(H,16,17)
InChIKeyQXVGQGYIGBSCFU-UHFFFAOYSA-N
XLogP2.26
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]carbamic acid?
The IUPAC name of [6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]carbamic acid (CID 123894563) is [6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]carbamic acid.
What is the SMILES notation for [6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]carbamic acid?
The canonical SMILES for [6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]carbamic acid is CN(C)c1ncc(NC(=O)O)cc1C(F)(F)F.
What is the InChIKey of [6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]carbamic acid?
The InChIKey is QXVGQGYIGBSCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-15(2)7-6(9(10,11)12)3-5(4-13-7)14-8(16)17/h3-4,14H,1-2H3,(H,16,17).
What are the key properties of [6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]carbamic acid?
[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]carbamic acid has a molecular weight of 249.19 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]carbamic acid is sourced from PubChem (CID 123894563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).