methyl pyridine-3-carboxylate;2-(trifluoromethyl)pyrimidine-5-carboxamide

C13H11F3N4O3 — CID 139434250

IUPACmethyl pyridine-3-carboxylate;2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCOC(=O)c1cccnc1.NC(=O)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C7H7NO2.C6H4F3N3O/c1-10-7(9)6-3-2-4-8-5-6;7-6(8,9)5-11-1-3(2-12-5)4(10)13/h2-5H,1H3;1-2H,(H2,10,13)
InChIKeyPGXCGAKLCPKMPQ-UHFFFAOYSA-N
MW328.25 g/mol
LogP1.46
Rot. Bonds2

About methyl pyridine-3-carboxylate;2-(trifluoromethyl)pyrimidine-5-carboxamide

methyl pyridine-3-carboxylate;2-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 139434250) has the molecular formula C13H11F3N4O3 and a molecular weight of 328.25 g/mol. Its IUPAC name is methyl pyridine-3-carboxylate;2-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Namemethyl pyridine-3-carboxylate;2-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID139434250
Molecular FormulaC13H11F3N4O3
Molecular Weight328.25 g/mol
Exact Mass328.08
IUPAC Namemethyl pyridine-3-carboxylate;2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCOC(=O)c1cccnc1.NC(=O)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C7H7NO2.C6H4F3N3O/c1-10-7(9)6-3-2-4-8-5-6;7-6(8,9)5-11-1-3(2-12-5)4(10)13/h2-5H,1H3;1-2H,(H2,10,13)
InChIKeyPGXCGAKLCPKMPQ-UHFFFAOYSA-N
XLogP1.46
TPSA108.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl pyridine-3-carboxylate;2-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of methyl pyridine-3-carboxylate;2-(trifluoromethyl)pyrimidine-5-carboxamide (CID 139434250) is methyl pyridine-3-carboxylate;2-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for methyl pyridine-3-carboxylate;2-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for methyl pyridine-3-carboxylate;2-(trifluoromethyl)pyrimidine-5-carboxamide is COC(=O)c1cccnc1.NC(=O)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of methyl pyridine-3-carboxylate;2-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is PGXCGAKLCPKMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C6H4F3N3O/c1-10-7(9)6-3-2-4-8-5-6;7-6(8,9)5-11-1-3(2-12-5)4(10)13/h2-5H,1H3;1-2H,(H2,10,13).
What are the key properties of methyl pyridine-3-carboxylate;2-(trifluoromethyl)pyrimidine-5-carboxamide?
methyl pyridine-3-carboxylate;2-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 328.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pyridine-3-carboxylate;2-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 139434250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).