3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine

C8H12F3N3 — CID 122640398

IUPAC3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine
SMILESCNC1=C(N)C=C(C(F)(F)F)N(C)C1
InChIInChI=1S/C8H12F3N3/c1-13-6-4-14(2)7(3-5(6)12)8(9,10)11/h3,13H,4,12H2,1-2H3
InChIKeyBENIWKLOPVWBHO-UHFFFAOYSA-N
MW207.20 g/mol
LogP0.77
Rot. Bonds1

About 3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine

3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine (PubChem CID 122640398) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine.

Molecular Properties

Compound Name3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine
PubChem CID122640398
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine
SMILESCNC1=C(N)C=C(C(F)(F)F)N(C)C1
InChIInChI=1S/C8H12F3N3/c1-13-6-4-14(2)7(3-5(6)12)8(9,10)11/h3,13H,4,12H2,1-2H3
InChIKeyBENIWKLOPVWBHO-UHFFFAOYSA-N
XLogP0.77
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine?
The IUPAC name of 3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine (CID 122640398) is 3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine.
What is the SMILES notation for 3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine?
The canonical SMILES for 3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine is CNC1=C(N)C=C(C(F)(F)F)N(C)C1.
What is the InChIKey of 3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine?
The InChIKey is BENIWKLOPVWBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-13-6-4-14(2)7(3-5(6)12)8(9,10)11/h3,13H,4,12H2,1-2H3.
What are the key properties of 3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine?
3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine has a molecular weight of 207.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine is sourced from PubChem (CID 122640398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).