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

C14H14F3N3O — CID 11630767

IUPAC2-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine
SMILESCOc1ccc(CNc2nc(C(F)(F)F)ccc2N)cc1
InChIInChI=1S/C14H14F3N3O/c1-21-10-4-2-9(3-5-10)8-19-13-11(18)6-7-12(20-13)14(15,16)17/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyQZHJRELNTRBCPO-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.30
Rot. Bonds4

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

2-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 11630767) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID11630767
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine
SMILESCOc1ccc(CNc2nc(C(F)(F)F)ccc2N)cc1
InChIInChI=1S/C14H14F3N3O/c1-21-10-4-2-9(3-5-10)8-19-13-11(18)6-7-12(20-13)14(15,16)17/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyQZHJRELNTRBCPO-UHFFFAOYSA-N
XLogP3.30
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine (CID 11630767) is 2-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine is COc1ccc(CNc2nc(C(F)(F)F)ccc2N)cc1.
What is the InChIKey of 2-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is QZHJRELNTRBCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-21-10-4-2-9(3-5-10)8-19-13-11(18)6-7-12(20-13)14(15,16)17/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of 2-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine?
2-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 297.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 11630767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).