5-methyl-6-(trifluoromethyl)pyridine-3,4-diamine

C7H8F3N3 — CID 135325495

IUPAC5-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCc1c(C(F)(F)F)ncc(N)c1N
InChIInChI=1S/C7H8F3N3/c1-3-5(12)4(11)2-13-6(3)7(8,9)10/h2H,11H2,1H3,(H2,12,13)
InChIKeyPAOQAZGSAMSBTQ-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.57
Rot. Bonds

About 5-methyl-6-(trifluoromethyl)pyridine-3,4-diamine

5-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 135325495) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 5-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID135325495
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name5-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCc1c(C(F)(F)F)ncc(N)c1N
InChIInChI=1S/C7H8F3N3/c1-3-5(12)4(11)2-13-6(3)7(8,9)10/h2H,11H2,1H3,(H2,12,13)
InChIKeyPAOQAZGSAMSBTQ-UHFFFAOYSA-N
XLogP1.57
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 5-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (CID 135325495) is 5-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 5-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 5-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is Cc1c(C(F)(F)F)ncc(N)c1N.
What is the InChIKey of 5-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is PAOQAZGSAMSBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c1-3-5(12)4(11)2-13-6(3)7(8,9)10/h2H,11H2,1H3,(H2,12,13).
What are the key properties of 5-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
5-methyl-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 191.16 g/mol, XLogP of 1.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 135325495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).