4-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine

C14H14F3N3O — CID 67400984

IUPAC4-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine
SMILESCOc1ccc(Cc2cc(C(F)(F)F)nc(N)c2N)cc1
InChIInChI=1S/C14H14F3N3O/c1-21-10-4-2-8(3-5-10)6-9-7-11(14(15,16)17)20-13(19)12(9)18/h2-5,7H,6,18H2,1H3,(H2,19,20)
InChIKeyPNTKUXVGDULPTL-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.86
Rot. Bonds3

About 4-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine

4-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 67400984) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID67400984
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name4-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine
SMILESCOc1ccc(Cc2cc(C(F)(F)F)nc(N)c2N)cc1
InChIInChI=1S/C14H14F3N3O/c1-21-10-4-2-8(3-5-10)6-9-7-11(14(15,16)17)20-13(19)12(9)18/h2-5,7H,6,18H2,1H3,(H2,19,20)
InChIKeyPNTKUXVGDULPTL-UHFFFAOYSA-N
XLogP2.86
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine (CID 67400984) is 4-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine is COc1ccc(Cc2cc(C(F)(F)F)nc(N)c2N)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is PNTKUXVGDULPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-21-10-4-2-8(3-5-10)6-9-7-11(14(15,16)17)20-13(19)12(9)18/h2-5,7H,6,18H2,1H3,(H2,19,20).
What are the key properties of 4-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine?
4-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 297.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 67400984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).