1-methyl-2-(trifluoromethyl)-2H-pyridin-4-amine

C7H9F3N2 — CID 166878769

IUPAC1-methyl-2-(trifluoromethyl)-2H-pyridin-4-amine
SMILESCN1C=CC(N)=CC1C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-12-3-2-5(11)4-6(12)7(8,9)10/h2-4,6H,11H2,1H3
InChIKeyRKXOWMVUMGEOIP-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.22
Rot. Bonds

About 1-methyl-2-(trifluoromethyl)-2H-pyridin-4-amine

1-methyl-2-(trifluoromethyl)-2H-pyridin-4-amine (PubChem CID 166878769) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethyl)-2H-pyridin-4-amine.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethyl)-2H-pyridin-4-amine
PubChem CID166878769
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name1-methyl-2-(trifluoromethyl)-2H-pyridin-4-amine
SMILESCN1C=CC(N)=CC1C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-12-3-2-5(11)4-6(12)7(8,9)10/h2-4,6H,11H2,1H3
InChIKeyRKXOWMVUMGEOIP-UHFFFAOYSA-N
XLogP1.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethyl)-2H-pyridin-4-amine?
The IUPAC name of 1-methyl-2-(trifluoromethyl)-2H-pyridin-4-amine (CID 166878769) is 1-methyl-2-(trifluoromethyl)-2H-pyridin-4-amine.
What is the SMILES notation for 1-methyl-2-(trifluoromethyl)-2H-pyridin-4-amine?
The canonical SMILES for 1-methyl-2-(trifluoromethyl)-2H-pyridin-4-amine is CN1C=CC(N)=CC1C(F)(F)F.
What is the InChIKey of 1-methyl-2-(trifluoromethyl)-2H-pyridin-4-amine?
The InChIKey is RKXOWMVUMGEOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-12-3-2-5(11)4-6(12)7(8,9)10/h2-4,6H,11H2,1H3.
What are the key properties of 1-methyl-2-(trifluoromethyl)-2H-pyridin-4-amine?
1-methyl-2-(trifluoromethyl)-2H-pyridin-4-amine has a molecular weight of 178.16 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethyl)-2H-pyridin-4-amine is sourced from PubChem (CID 166878769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).