[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]methylcarbamic acid

C9H10F3N3O2 — CID 123440303

IUPAC[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]methylcarbamic acid
SMILESCNc1ncc(C(F)(F)F)cc1CNC(=O)O
InChIInChI=1S/C9H10F3N3O2/c1-13-7-5(3-15-8(16)17)2-6(4-14-7)9(10,11)12/h2,4,15H,3H2,1H3,(H,13,14)(H,16,17)
InChIKeyHFGNSSMYFNIOLJ-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.91
Rot. Bonds3

About [2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]methylcarbamic acid

[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]methylcarbamic acid (PubChem CID 123440303) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is [2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]methylcarbamic acid.

Molecular Properties

Compound Name[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]methylcarbamic acid
PubChem CID123440303
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]methylcarbamic acid
SMILESCNc1ncc(C(F)(F)F)cc1CNC(=O)O
InChIInChI=1S/C9H10F3N3O2/c1-13-7-5(3-15-8(16)17)2-6(4-14-7)9(10,11)12/h2,4,15H,3H2,1H3,(H,13,14)(H,16,17)
InChIKeyHFGNSSMYFNIOLJ-UHFFFAOYSA-N
XLogP1.91
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]methylcarbamic 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 [2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]methylcarbamic acid?
The IUPAC name of [2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]methylcarbamic acid (CID 123440303) is [2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]methylcarbamic acid.
What is the SMILES notation for [2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]methylcarbamic acid?
The canonical SMILES for [2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]methylcarbamic acid is CNc1ncc(C(F)(F)F)cc1CNC(=O)O.
What is the InChIKey of [2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]methylcarbamic acid?
The InChIKey is HFGNSSMYFNIOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-13-7-5(3-15-8(16)17)2-6(4-14-7)9(10,11)12/h2,4,15H,3H2,1H3,(H,13,14)(H,16,17).
What are the key properties of [2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]methylcarbamic acid?
[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]methylcarbamic acid has a molecular weight of 249.19 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]methylcarbamic acid is sourced from PubChem (CID 123440303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).