6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine

C14H14F3N3O2 — CID 59650856

IUPAC6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine
SMILESCOc1cc(OC(F)(F)F)ccc1-c1nc(N)c(N)cc1C
InChIInChI=1S/C14H14F3N3O2/c1-7-5-10(18)13(19)20-12(7)9-4-3-8(6-11(9)21-2)22-14(15,16)17/h3-6H,18H2,1-2H3,(H2,19,20)
InChIKeyIOTSFKCVVHKBBF-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.13
Rot. Bonds3

About 6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine

6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine (PubChem CID 59650856) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine
PubChem CID59650856
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine
SMILESCOc1cc(OC(F)(F)F)ccc1-c1nc(N)c(N)cc1C
InChIInChI=1S/C14H14F3N3O2/c1-7-5-10(18)13(19)20-12(7)9-4-3-8(6-11(9)21-2)22-14(15,16)17/h3-6H,18H2,1-2H3,(H2,19,20)
InChIKeyIOTSFKCVVHKBBF-UHFFFAOYSA-N
XLogP3.13
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine?
The IUPAC name of 6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine (CID 59650856) is 6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine.
What is the SMILES notation for 6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine?
The canonical SMILES for 6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine is COc1cc(OC(F)(F)F)ccc1-c1nc(N)c(N)cc1C.
What is the InChIKey of 6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine?
The InChIKey is IOTSFKCVVHKBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-7-5-10(18)13(19)20-12(7)9-4-3-8(6-11(9)21-2)22-14(15,16)17/h3-6H,18H2,1-2H3,(H2,19,20).
What are the key properties of 6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine?
6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine has a molecular weight of 313.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine is sourced from PubChem (CID 59650856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).