5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine

C12H10F3N3O — CID 104532253

IUPAC5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine
SMILESNc1cncc(Nc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)19-11-3-1-9(2-4-11)18-10-5-8(16)6-17-7-10/h1-7,18H,16H2
InChIKeyMJSHWAQYUZEVJM-UHFFFAOYSA-N
MW269.23 g/mol
LogP3.31
Rot. Bonds3

About 5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine

5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine (PubChem CID 104532253) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine
PubChem CID104532253
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine
SMILESNc1cncc(Nc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)19-11-3-1-9(2-4-11)18-10-5-8(16)6-17-7-10/h1-7,18H,16H2
InChIKeyMJSHWAQYUZEVJM-UHFFFAOYSA-N
XLogP3.31
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine?
The IUPAC name of 5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine (CID 104532253) is 5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine.
What is the SMILES notation for 5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine?
The canonical SMILES for 5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine is Nc1cncc(Nc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine?
The InChIKey is MJSHWAQYUZEVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)19-11-3-1-9(2-4-11)18-10-5-8(16)6-17-7-10/h1-7,18H,16H2.
What are the key properties of 5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine?
5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine has a molecular weight of 269.23 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine is sourced from PubChem (CID 104532253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).