5-bromo-4-(trifluoromethyl)pyrimidine-2-carboxamide;carbonic acid

C8H7BrF3N3O7 — CID 89145552

IUPAC5-bromo-4-(trifluoromethyl)pyrimidine-2-carboxamide;carbonic acid
SMILESNC(=O)c1ncc(Br)c(C(F)(F)F)n1.O=C(O)O.O=C(O)O
InChIInChI=1S/C6H3BrF3N3O.2CH2O3/c7-2-1-12-5(4(11)14)13-3(2)6(8,9)10;2*2-1(3)4/h1H,(H2,11,14);2*(H2,2,3,4)
InChIKeyAVSKRZXGCZHQBR-UHFFFAOYSA-N
MW394.06 g/mol
LogP1.80
Rot. Bonds1

About 5-bromo-4-(trifluoromethyl)pyrimidine-2-carboxamide;carbonic acid

5-bromo-4-(trifluoromethyl)pyrimidine-2-carboxamide;carbonic acid (PubChem CID 89145552) has the molecular formula C8H7BrF3N3O7 and a molecular weight of 394.06 g/mol. Its IUPAC name is 5-bromo-4-(trifluoromethyl)pyrimidine-2-carboxamide;carbonic acid.

Molecular Properties

Compound Name5-bromo-4-(trifluoromethyl)pyrimidine-2-carboxamide;carbonic acid
PubChem CID89145552
Molecular FormulaC8H7BrF3N3O7
Molecular Weight394.06 g/mol
Exact Mass392.94
IUPAC Name5-bromo-4-(trifluoromethyl)pyrimidine-2-carboxamide;carbonic acid
SMILESNC(=O)c1ncc(Br)c(C(F)(F)F)n1.O=C(O)O.O=C(O)O
InChIInChI=1S/C6H3BrF3N3O.2CH2O3/c7-2-1-12-5(4(11)14)13-3(2)6(8,9)10;2*2-1(3)4/h1H,(H2,11,14);2*(H2,2,3,4)
InChIKeyAVSKRZXGCZHQBR-UHFFFAOYSA-N
XLogP1.80
TPSA183.93 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.06
LogP ≤ 51.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(trifluoromethyl)pyrimidine-2-carboxamide;carbonic acid?
The IUPAC name of 5-bromo-4-(trifluoromethyl)pyrimidine-2-carboxamide;carbonic acid (CID 89145552) is 5-bromo-4-(trifluoromethyl)pyrimidine-2-carboxamide;carbonic acid.
What is the SMILES notation for 5-bromo-4-(trifluoromethyl)pyrimidine-2-carboxamide;carbonic acid?
The canonical SMILES for 5-bromo-4-(trifluoromethyl)pyrimidine-2-carboxamide;carbonic acid is NC(=O)c1ncc(Br)c(C(F)(F)F)n1.O=C(O)O.O=C(O)O.
What is the InChIKey of 5-bromo-4-(trifluoromethyl)pyrimidine-2-carboxamide;carbonic acid?
The InChIKey is AVSKRZXGCZHQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF3N3O.2CH2O3/c7-2-1-12-5(4(11)14)13-3(2)6(8,9)10;2*2-1(3)4/h1H,(H2,11,14);2*(H2,2,3,4).
What are the key properties of 5-bromo-4-(trifluoromethyl)pyrimidine-2-carboxamide;carbonic acid?
5-bromo-4-(trifluoromethyl)pyrimidine-2-carboxamide;carbonic acid has a molecular weight of 394.06 g/mol, XLogP of 1.80, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(trifluoromethyl)pyrimidine-2-carboxamide;carbonic acid is sourced from PubChem (CID 89145552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).