3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide

C8H8F3N3O2 — CID 154014203

IUPAC3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1nc(C(N)=O)c(N)cc1C(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c1-16-7-3(8(9,10)11)2-4(12)5(14-7)6(13)15/h2H,12H2,1H3,(H2,13,15)
InChIKeySIEJHBHYDDMANJ-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.79
Rot. Bonds2

About 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide

3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 154014203) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID154014203
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1nc(C(N)=O)c(N)cc1C(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c1-16-7-3(8(9,10)11)2-4(12)5(14-7)6(13)15/h2H,12H2,1H3,(H2,13,15)
InChIKeySIEJHBHYDDMANJ-UHFFFAOYSA-N
XLogP0.79
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide (CID 154014203) is 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide is COc1nc(C(N)=O)c(N)cc1C(F)(F)F.
What is the InChIKey of 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is SIEJHBHYDDMANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-16-7-3(8(9,10)11)2-4(12)5(14-7)6(13)15/h2H,12H2,1H3,(H2,13,15).
What are the key properties of 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 235.16 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154014203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).