4-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide

C9H7BrF3N3O — CID 123448927

IUPAC4-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1nccc(Br)n1
InChIInChI=1S/C9H7BrF3N3O/c10-5-1-4-14-6(15-5)7(17)16-8(2-3-8)9(11,12)13/h1,4H,2-3H2,(H,16,17)
InChIKeyFJYAPIQXLFHENQ-UHFFFAOYSA-N
MW310.07 g/mol
LogP2.06
Rot. Bonds2

About 4-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide

4-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide (PubChem CID 123448927) has the molecular formula C9H7BrF3N3O and a molecular weight of 310.07 g/mol. Its IUPAC name is 4-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide
PubChem CID123448927
Molecular FormulaC9H7BrF3N3O
Molecular Weight310.07 g/mol
Exact Mass308.97
IUPAC Name4-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1nccc(Br)n1
InChIInChI=1S/C9H7BrF3N3O/c10-5-1-4-14-6(15-5)7(17)16-8(2-3-8)9(11,12)13/h1,4H,2-3H2,(H,16,17)
InChIKeyFJYAPIQXLFHENQ-UHFFFAOYSA-N
XLogP2.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.07
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide?
The IUPAC name of 4-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide (CID 123448927) is 4-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide?
The canonical SMILES for 4-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide is O=C(NC1(C(F)(F)F)CC1)c1nccc(Br)n1.
What is the InChIKey of 4-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide?
The InChIKey is FJYAPIQXLFHENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3N3O/c10-5-1-4-14-6(15-5)7(17)16-8(2-3-8)9(11,12)13/h1,4H,2-3H2,(H,16,17).
What are the key properties of 4-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide?
4-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide has a molecular weight of 310.07 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 123448927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).