3-(trifluoromethyl)pyridin-2-amine;4-(trifluoromethyl)pyridin-2-amine

C12H10F6N4 — CID 23199605

IUPAC3-(trifluoromethyl)pyridin-2-amine;4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)ccn1.Nc1ncccc1C(F)(F)F
InChIInChI=1S/2C6H5F3N2/c7-6(8,9)4-1-2-11-5(10)3-4;7-6(8,9)4-2-1-3-11-5(4)10/h2*1-3H,(H2,10,11)
InChIKeyCMEIQIWCUXPUDP-UHFFFAOYSA-N
MW324.23 g/mol
LogP3.37
Rot. Bonds

About 3-(trifluoromethyl)pyridin-2-amine;4-(trifluoromethyl)pyridin-2-amine

3-(trifluoromethyl)pyridin-2-amine;4-(trifluoromethyl)pyridin-2-amine (PubChem CID 23199605) has the molecular formula C12H10F6N4 and a molecular weight of 324.23 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyridin-2-amine;4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)pyridin-2-amine;4-(trifluoromethyl)pyridin-2-amine
PubChem CID23199605
Molecular FormulaC12H10F6N4
Molecular Weight324.23 g/mol
Exact Mass324.08
IUPAC Name3-(trifluoromethyl)pyridin-2-amine;4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)ccn1.Nc1ncccc1C(F)(F)F
InChIInChI=1S/2C6H5F3N2/c7-6(8,9)4-1-2-11-5(10)3-4;7-6(8,9)4-2-1-3-11-5(4)10/h2*1-3H,(H2,10,11)
InChIKeyCMEIQIWCUXPUDP-UHFFFAOYSA-N
XLogP3.37
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pyridin-2-amine;4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-(trifluoromethyl)pyridin-2-amine;4-(trifluoromethyl)pyridin-2-amine (CID 23199605) is 3-(trifluoromethyl)pyridin-2-amine;4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-(trifluoromethyl)pyridin-2-amine;4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-(trifluoromethyl)pyridin-2-amine;4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)ccn1.Nc1ncccc1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)pyridin-2-amine;4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CMEIQIWCUXPUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5F3N2/c7-6(8,9)4-1-2-11-5(10)3-4;7-6(8,9)4-2-1-3-11-5(4)10/h2*1-3H,(H2,10,11).
What are the key properties of 3-(trifluoromethyl)pyridin-2-amine;4-(trifluoromethyl)pyridin-2-amine?
3-(trifluoromethyl)pyridin-2-amine;4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 324.23 g/mol, XLogP of 3.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pyridin-2-amine;4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 23199605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).